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Piperazines

Organic heterocyclic compounds that consist of a six-membered ring with four carbon atoms and two nitrogen atoms at opposite positions in the ring.

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1

Benzyl 3-oxopiperazine-1-carboxylate, 97%, Thermo Scientific™

CAS: 78818-15-2 Molecular Formula: C12H14N2O3 Molecular Weight (g/mol): 234.255 InChI Key: BAHFPJFBMJTOPU-UHFFFAOYSA-N Synonym: 4-benzyloxycarbonylpiperazin-2-one,1-cbz-3-oxopiperazine,4-benzyloxycarbonyl-2-piperazinone,4-cbz-piperazinone,1-z-3-oxopiperazine,4-cbz-piperazin-2-one,1-piperazinecarboxylic acid, 3-oxo-, phenylmethyl ester,3-oxopiperazine-1-carboxylic acid benzyl ester,benzyl 3-oxotetrahydro-1 2h-pyrazinecarboxylate,phenylmethyl 3-oxopiperazinecarboxylate PubChem CID: 736777 IUPAC Name: benzyl 3-oxopiperazine-1-carboxylate SMILES: C1CN(CC(=O)N1)C(=O)OCC2=CC=CC=C2

PubChem CID 736777
CAS 78818-15-2
Molecular Weight (g/mol) 234.255
SMILES C1CN(CC(=O)N1)C(=O)OCC2=CC=CC=C2
Synonym 4-benzyloxycarbonylpiperazin-2-one,1-cbz-3-oxopiperazine,4-benzyloxycarbonyl-2-piperazinone,4-cbz-piperazinone,1-z-3-oxopiperazine,4-cbz-piperazin-2-one,1-piperazinecarboxylic acid, 3-oxo-, phenylmethyl ester,3-oxopiperazine-1-carboxylic acid benzyl ester,benzyl 3-oxotetrahydro-1 2h-pyrazinecarboxylate,phenylmethyl 3-oxopiperazinecarboxylate
IUPAC Name benzyl 3-oxopiperazine-1-carboxylate
InChI Key BAHFPJFBMJTOPU-UHFFFAOYSA-N
Molecular Formula C12H14N2O3
2

HEPES, free acid, >98%, MP Biomedicals™

CAS: 7365-45-9 Molecular Formula: C8H18N2O4S Molecular Weight (g/mol): 238.30 MDL Number: MFCD00006158 InChI Key: JKMHFZQWWAIEOD-UHFFFAOYSA-N Synonym: hepes,2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonic acid,4-2-hydroxyethyl-1-piperazineethanesulfonic acid,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl,monosodium salt, hepes,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid,unii-rww266ye9i,4-2-hydroxyethyl-1-piperazineethane sulfonic acid,n-2-hydroxyethylpiperazine-n'-ethanesulfonate PubChem CID: 23831 ChEBI: CHEBI:42334 SMILES: OCCN1CCN(CCS(O)(=O)=O)CC1

PubChem CID 23831
CAS 7365-45-9
Molecular Weight (g/mol) 238.30
ChEBI CHEBI:42334
MDL Number MFCD00006158
SMILES OCCN1CCN(CCS(O)(=O)=O)CC1
Synonym hepes,2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonic acid,4-2-hydroxyethyl-1-piperazineethanesulfonic acid,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl,monosodium salt, hepes,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid,unii-rww266ye9i,4-2-hydroxyethyl-1-piperazineethane sulfonic acid,n-2-hydroxyethylpiperazine-n'-ethanesulfonate
InChI Key JKMHFZQWWAIEOD-UHFFFAOYSA-N
Molecular Formula C8H18N2O4S
3

HEPES Hemisodium Salt, MP Biomedicals™

CAS: 103404-87-1 Molecular Formula: C8H17N2NaO4S Molecular Weight (g/mol): 260.28 MDL Number: MFCD00036463 InChI Key: RDZTWEVXRGYCFV-UHFFFAOYSA-M Synonym: hepes sodium salt,hepes hemisodium salt,sodium 2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonate,unii-z9fto91o8a,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl-, monosodium salt,z9fto91o8a,sodium 4-2-hydroxyethyl piperazin-1-ylethanesulphonate,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid sodium salt,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid hemisodium salt PubChem CID: 2724248 ChEBI: CHEBI:46758 IUPAC Name: sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethane-1-sulfonate SMILES: [Na+].OCCN1CCN(CCS([O-])(=O)=O)CC1

PubChem CID 2724248
CAS 103404-87-1
Molecular Weight (g/mol) 260.28
ChEBI CHEBI:46758
MDL Number MFCD00036463
SMILES [Na+].OCCN1CCN(CCS([O-])(=O)=O)CC1
Synonym hepes sodium salt,hepes hemisodium salt,sodium 2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonate,unii-z9fto91o8a,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl-, monosodium salt,z9fto91o8a,sodium 4-2-hydroxyethyl piperazin-1-ylethanesulphonate,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid sodium salt,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid hemisodium salt
IUPAC Name sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethane-1-sulfonate
InChI Key RDZTWEVXRGYCFV-UHFFFAOYSA-M
Molecular Formula C8H17N2NaO4S
4

tert-Butyl 4-{4-[(methylamino)methyl]pyrid-2-yl}piperazine-1-carboxylate, 97%, Thermo Scientific™

CAS: 946409-15-0 Molecular Formula: C16H26N4O2 Molecular Weight (g/mol): 306.41 MDL Number: MFCD09966148 InChI Key: BNLNDKXJNWJYKP-UHFFFAOYSA-N Synonym: tert-butyl 4-4-methylamino methyl pyridin-2-yl piperazine-1-carboxylate,tert-butyl 4-4-methylamino methyl pyrid-2-yl piperazine-1-carboxylate PubChem CID: 28765107 IUPAC Name: tert-butyl 4-[4-(methylaminomethyl)pyridin-2-yl]piperazine-1-carboxylate SMILES: CNCC1=CC(=NC=C1)N1CCN(CC1)C(=O)OC(C)(C)C

PubChem CID 28765107
CAS 946409-15-0
Molecular Weight (g/mol) 306.41
MDL Number MFCD09966148
SMILES CNCC1=CC(=NC=C1)N1CCN(CC1)C(=O)OC(C)(C)C
Synonym tert-butyl 4-4-methylamino methyl pyridin-2-yl piperazine-1-carboxylate,tert-butyl 4-4-methylamino methyl pyrid-2-yl piperazine-1-carboxylate
IUPAC Name tert-butyl 4-[4-(methylaminomethyl)pyridin-2-yl]piperazine-1-carboxylate
InChI Key BNLNDKXJNWJYKP-UHFFFAOYSA-N
Molecular Formula C16H26N4O2
5

Bafilomycin A1, TRC

CAS: 88899-55-2 Molecular Formula: C35H58O9 Molecular Weight (g/mol): 622.83 Synonym: 21-O-De(3-carboxy-1-oxo-2-propenyl)-2-demethyl-2-methoxy-24-methyl-hygrolidin Oxacyclohexadecane, hygrolidin deriv.,(-)-Bafilomycin A1,NSC 381866,[7R-[3Z,5E,7R*,8S*,9S*,11E,13E,15S*,16R*[1S*,2R*,3S*(2R*,4R*,5S*,6R*)]]]-8-Hydroxy-16-[2-hydroxy-1-methyl-3-[tetrahydro-2,4-dihydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]butyl]-3,15-dimethoxy-5,7,9,11-tetramethyl-oxacyclohexadeca-3,5,11,13-tetraen-2-one IUPAC Name: (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one SMILES: OCC(=O)[C@@H](O)[C@@H](O)[C@@H](C)O

CAS 88899-55-2
Molecular Weight (g/mol) 622.83
SMILES OCC(=O)[C@@H](O)[C@@H](O)[C@@H](C)O
Synonym 21-O-De(3-carboxy-1-oxo-2-propenyl)-2-demethyl-2-methoxy-24-methyl-hygrolidin Oxacyclohexadecane, hygrolidin deriv.,(-)-Bafilomycin A1,NSC 381866,[7R-[3Z,5E,7R*,8S*,9S*,11E,13E,15S*,16R*[1S*,2R*,3S*(2R*,4R*,5S*,6R*)]]]-8-Hydroxy-16-[2-hydroxy-1-methyl-3-[tetrahydro-2,4-dihydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl]butyl]-3,15-dimethoxy-5,7,9,11-tetramethyl-oxacyclohexadeca-3,5,11,13-tetraen-2-one
IUPAC Name (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Molecular Formula C35H58O9
6

(R)-1-BOC-3-methylpiperazine, 99%

CAS: 163765-44-4 Molecular Formula: C10H20N2O2 Molecular Weight (g/mol): 200.28 MDL Number: MFCD02683205 InChI Key: FMLPQHJYUZTHQS-MRVPVSSYSA-N Synonym: r-1-boc-3-methylpiperazine,r-4-boc-2-methylpiperazine,r-4-n-boc-2-methylpiperazine,r-tert-butyl 3-methylpiperazine-1-carboxylate,tert-butyl 3r-3-methylpiperazine-1-carboxylate,r-4-n-boc-2-methyl-piperazine,r-1-boc-3-methyl-piperazine,r-4bocmp,r-n4-boc-2-methylpiperazine,3r-1-boc-3-methylpiperazine PubChem CID: 2756811 IUPAC Name: tert-butyl (3R)-3-methylpiperazine-1-carboxylate SMILES: CC1CN(CCN1)C(=O)OC(C)(C)C

PubChem CID 2756811
CAS 163765-44-4
Molecular Weight (g/mol) 200.28
MDL Number MFCD02683205
SMILES CC1CN(CCN1)C(=O)OC(C)(C)C
Synonym r-1-boc-3-methylpiperazine,r-4-boc-2-methylpiperazine,r-4-n-boc-2-methylpiperazine,r-tert-butyl 3-methylpiperazine-1-carboxylate,tert-butyl 3r-3-methylpiperazine-1-carboxylate,r-4-n-boc-2-methyl-piperazine,r-1-boc-3-methyl-piperazine,r-4bocmp,r-n4-boc-2-methylpiperazine,3r-1-boc-3-methylpiperazine
IUPAC Name tert-butyl (3R)-3-methylpiperazine-1-carboxylate
InChI Key FMLPQHJYUZTHQS-MRVPVSSYSA-N
Molecular Formula C10H20N2O2
8

2,2’-(1,4-Piperazinediyl)bis-pyrimidine, TRC

CAS: 84746-24-7 Molecular Formula: C12 H14 N6 Molecular Weight (g/mol): 242.28 Synonym: 2,2'-(Piperazine-1,4-diyl)dipyrimidine,Buspirone Hydrochloride Imp. G (EP) IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine SMILES: C1CN(CCN1c2ncccn2)c3ncccn3

CAS 84746-24-7
Molecular Weight (g/mol) 242.28
SMILES C1CN(CCN1c2ncccn2)c3ncccn3
Synonym 2,2'-(Piperazine-1,4-diyl)dipyrimidine,Buspirone Hydrochloride Imp. G (EP)
IUPAC Name 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
Molecular Formula C12 H14 N6
9

Prazosin Hydrochloride, TRC

CAS: 19237-84-4 Molecular Formula: C19 H21 N5 O4 . Cl H Molecular Weight (g/mol): 419.86 Synonym: Prazosin Hydrochloride,Terazosin Hydrochloride Dihydrate Imp. K (EP) as Hydrochloride,[4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-furanyl-methanone hydrochloride (1:1),1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)-piperazine monohydrochloride,1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)-piperazine monohydrochloride,2-[4-(2-Furoyl)piperazin-1-yl]-4-amino-6,7-dimethoxyquinazoline hydrochloride,Adversuten,Adverszuten,Alpress LP,CP 12299-1,Deprazolin,Duramipress,Eurex,Furazosin hydrochloride,Hypovase,Hypovasole,Minipress,NSC 292810,Peripress,Pratsiol,Prazosin hydrochloride,Sinetens IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride SMILES: Cl.COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4

CAS 19237-84-4
Molecular Weight (g/mol) 419.86
SMILES Cl.COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4
Synonym Prazosin Hydrochloride,Terazosin Hydrochloride Dihydrate Imp. K (EP) as Hydrochloride,[4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-furanyl-methanone hydrochloride (1:1),1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)-piperazine monohydrochloride,1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)-piperazine monohydrochloride,2-[4-(2-Furoyl)piperazin-1-yl]-4-amino-6,7-dimethoxyquinazoline hydrochloride,Adversuten,Adverszuten,Alpress LP,CP 12299-1,Deprazolin,Duramipress,Eurex,Furazosin hydrochloride,Hypovase,Hypovasole,Minipress,NSC 292810,Peripress,Pratsiol,Prazosin hydrochloride,Sinetens
IUPAC Name [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
Molecular Formula C19 H21 N5 O4 . Cl H
10

N-(4-Aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide, TRC

CAS: 262368-30-9 Molecular Formula: C14H22N4O Molecular Weight (g/mol): 262.35 Synonym: N-(4-Aminophenyl)-N,4-dimethyl-1-piperazineacetamide,N-[[(4-Methylpiperazin-1-yl)methyl]carbonyl]-N-methyl-p-phenylenediamine IUPAC Name: N-(4-aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N

CAS 262368-30-9
Molecular Weight (g/mol) 262.35
SMILES CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N
Synonym N-(4-Aminophenyl)-N,4-dimethyl-1-piperazineacetamide,N-[[(4-Methylpiperazin-1-yl)methyl]carbonyl]-N-methyl-p-phenylenediamine
IUPAC Name N-(4-aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
Molecular Formula C14H22N4O
11

2,2'-[Butane-1,4-diylbis(piperazine-1,4-diyl)]dipyrimidine, TRC

CAS: 257877-45-5 Molecular Formula: C20 H30 N8 Molecular Weight (g/mol): 382.51 Synonym: 2,2'-[Butane-1,4-diylbis(piperazine-1,4-diyl)]dipyrimidine,Buspirone Hydrochloride Imp. C (EP) IUPAC Name: 2-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperazin-1-yl]pyrimidine SMILES: C(CCN1CCN(CC1)c2ncccn2)CN3CCN(CC3)c4ncccn4

CAS 257877-45-5
Molecular Weight (g/mol) 382.51
SMILES C(CCN1CCN(CC1)c2ncccn2)CN3CCN(CC3)c4ncccn4
Synonym 2,2'-[Butane-1,4-diylbis(piperazine-1,4-diyl)]dipyrimidine,Buspirone Hydrochloride Imp. C (EP)
IUPAC Name 2-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperazin-1-yl]pyrimidine
Molecular Formula C20 H30 N8
12

5-Hydroxy Buspirone, TRC

CAS: 105496-33-1 Molecular Formula: C21 H31 N5 O3 Molecular Weight (g/mol): 401.5 Synonym: 8-[4-[4-(5-hydroxy-2-pyrimidinyl)-1-piperazinyl]butyl]-8-Azaspiro[4.5]decane-7,9-dione,5-Hydroxybuspirone IUPAC Name: 8-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione SMILES: Oc1cnc(nc1)N2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC2

CAS 105496-33-1
Molecular Weight (g/mol) 401.5
SMILES Oc1cnc(nc1)N2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CC2
Synonym 8-[4-[4-(5-hydroxy-2-pyrimidinyl)-1-piperazinyl]butyl]-8-Azaspiro[4.5]decane-7,9-dione,5-Hydroxybuspirone
IUPAC Name 8-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular Formula C21 H31 N5 O3
13

seco-(8,9)-Buspirone Carboxylic Acid, TRC

CAS: 257877-43-3 Molecular Formula: C21 H33 N5 O3 Molecular Weight (g/mol): 403.52 Synonym: 1-[2-Oxo-2-[[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]amino]ethyl]cyclopentaneacetic acid IUPAC Name: 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetic acid SMILES: OC(=O)CC1(CC(=O)NCCCCN2CCN(CC2)c3ncccn3)CCCC1

CAS 257877-43-3
Molecular Weight (g/mol) 403.52
SMILES OC(=O)CC1(CC(=O)NCCCCN2CCN(CC2)c3ncccn3)CCCC1
Synonym 1-[2-Oxo-2-[[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]amino]ethyl]cyclopentaneacetic acid
IUPAC Name 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]cyclopentyl]acetic acid
Molecular Formula C21 H33 N5 O3
14

Buspirone, TRC

CAS: 36505-84-7 Molecular Formula: C21 H31 N5 O2 Molecular Weight (g/mol): 385.5 Synonym: 8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]- (9CI, ACI),8-[4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione (ACI),Buspin,Buspirone,MeSH ID: D002065,Spitomin IUPAC Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione SMILES: O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4

CAS 36505-84-7
Molecular Weight (g/mol) 385.5
SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4
Synonym 8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]- (9CI, ACI),8-[4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione (ACI),Buspin,Buspirone,MeSH ID: D002065,Spitomin
IUPAC Name 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular Formula C21 H31 N5 O2
15

1,3-Bis(4-nitrophenyl)urea, TRC

CAS: 587-90-6 Molecular Formula: C13 H10 N4 O5 Molecular Weight (g/mol): 302.24 Synonym: Carbanilide, 4,4'-dinitro- (6CI,7CI,8CI),N,N'-Bis(4-nitrophenyl)urea,1,3-Bis(4-nitrophenyl)urea,1,3-Bis(p-nitrophenyl)urea,1,3-Di(4-nitrophenyl)urea,4,4'-Dinitrocarbanilide,4,4'-Dinitrodiphenylurea,DNC,N,N'-Bis(p-nitrophenyl)urea,N,N'-Di(p-nitrophenyl)urea,NSC 101086 IUPAC Name: 1,3-bis(4-nitrophenyl)urea SMILES: [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+](=O)[O-])cc1

CAS 587-90-6
Molecular Weight (g/mol) 302.24
SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+](=O)[O-])cc1
Synonym Carbanilide, 4,4'-dinitro- (6CI,7CI,8CI),N,N'-Bis(4-nitrophenyl)urea,1,3-Bis(4-nitrophenyl)urea,1,3-Bis(p-nitrophenyl)urea,1,3-Di(4-nitrophenyl)urea,4,4'-Dinitrocarbanilide,4,4'-Dinitrodiphenylurea,DNC,N,N'-Bis(p-nitrophenyl)urea,N,N'-Di(p-nitrophenyl)urea,NSC 101086
IUPAC Name 1,3-bis(4-nitrophenyl)urea
Molecular Formula C13 H10 N4 O5