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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
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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

(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
6

Ketoconazole, Fisher BioReagents

CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 534.452 InChI Key: XMAYWYJOQHXEEK-SIULDFEJSA-N Synonym: ketoconazole PubChem CID: 76973198 IUPAC Name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

PubChem CID 76973198
CAS 65277-42-1
Molecular Weight (g/mol) 534.452
SMILES CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
Synonym ketoconazole
IUPAC Name 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
InChI Key XMAYWYJOQHXEEK-SIULDFEJSA-N
Molecular Formula C26H28Cl2N4O4
7

4-Benzyloxycarbonyl-2-piperazinone, 97%, Thermo Scientific™

CAS: 78818-15-2 Molecular Formula: C12H14N2O3 Molecular Weight (g/mol): 234.255 MDL Number: MFCD00173924 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
MDL Number MFCD00173924
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
8

1-(2-Chlorophenyl)piperazine monohydrochloride monohydrate, 98%, Thermo Scientific™

CAS: 1082699-15-7 Molecular Formula: C10H16Cl2N2O Molecular Weight (g/mol): 251.151 MDL Number: MFCD00012761 InChI Key: RXPHNGRBTQWKEQ-UHFFFAOYSA-N Synonym: 1-2-chlorophenyl piperazine hydrate hydrochloride,1-2-chlorophenyl piperazine monohydrochloride monohydrate,c10h13cln2.hcl.h2o,1-2-chlorophenyl piperazine hydrochloride hydrate,1-2-chlorophenyl piperazine monohydrochloride monohydrate,,1-2-chlorophenyl piperazinemonohydrochloridemonohydrate PubChem CID: 20235849 IUPAC Name: 1-(2-chlorophenyl)piperazine;hydrate;hydrochloride SMILES: C1CN(CCN1)C2=CC=CC=C2Cl.O.Cl

PubChem CID 20235849
CAS 1082699-15-7
Molecular Weight (g/mol) 251.151
MDL Number MFCD00012761
SMILES C1CN(CCN1)C2=CC=CC=C2Cl.O.Cl
Synonym 1-2-chlorophenyl piperazine hydrate hydrochloride,1-2-chlorophenyl piperazine monohydrochloride monohydrate,c10h13cln2.hcl.h2o,1-2-chlorophenyl piperazine hydrochloride hydrate,1-2-chlorophenyl piperazine monohydrochloride monohydrate,,1-2-chlorophenyl piperazinemonohydrochloridemonohydrate
IUPAC Name 1-(2-chlorophenyl)piperazine;hydrate;hydrochloride
InChI Key RXPHNGRBTQWKEQ-UHFFFAOYSA-N
Molecular Formula C10H16Cl2N2O
9

N-Methyl-2-(1-piperazinyl)nicotinamide, 99%, Thermo Scientific™

CAS: 902837-15-4 Molecular Formula: C11H16N4O Molecular Weight (g/mol): 220.28 MDL Number: MFCD08061094 InChI Key: PKJNZUNKHVUUBC-UHFFFAOYSA-N Synonym: n-methyl-2-piperazin-1-yl-nicotinamide,n-methyl-2-1-piperazinyl nicotinamide,n-methyl-2-piperazin-1-yl pyridine-3-carboxamide,n-methyl-2-1-piperazino nicotinamide,n-methyl-2-piperazin-1-yl nicotinamide,n-methyl 2-piperazinyl 3-pyridyl carboxamide,n-methyl-2-piperazin-1-ylnicotinamide,n-methyl-2-1-piperazinyl pyridine-3-carboxamide PubChem CID: 28054516 IUPAC Name: N-methyl-2-(piperazin-1-yl)pyridine-3-carboxamide SMILES: CNC(=O)C1=C(N=CC=C1)N1CCNCC1

PubChem CID 28054516
CAS 902837-15-4
Molecular Weight (g/mol) 220.28
MDL Number MFCD08061094
SMILES CNC(=O)C1=C(N=CC=C1)N1CCNCC1
Synonym n-methyl-2-piperazin-1-yl-nicotinamide,n-methyl-2-1-piperazinyl nicotinamide,n-methyl-2-piperazin-1-yl pyridine-3-carboxamide,n-methyl-2-1-piperazino nicotinamide,n-methyl-2-piperazin-1-yl nicotinamide,n-methyl 2-piperazinyl 3-pyridyl carboxamide,n-methyl-2-piperazin-1-ylnicotinamide,n-methyl-2-1-piperazinyl pyridine-3-carboxamide
IUPAC Name N-methyl-2-(piperazin-1-yl)pyridine-3-carboxamide
InChI Key PKJNZUNKHVUUBC-UHFFFAOYSA-N
Molecular Formula C11H16N4O
10

1-(2-Fluorophenyl)piperazine, 97%

CAS: 1011-15-0 Molecular Formula: C10H13FN2 Molecular Weight (g/mol): 180.22 MDL Number: MFCD00040726 InChI Key: IVTZRJKKXSKXKO-UHFFFAOYSA-N Synonym: 1-2-fluorophenyl piperazine,1-2-fluorophenyl-piperazine,1-2-fluoro-phenyl-piperazine,piperazine, 1-2-fluorophenyl,chembl9429,2-fluorophenyl piperazine,ofpp,pubchem8573,1-2-fluorophenyl piperazinehydrochloride,2-fluorophenylpiperazine PubChem CID: 70529 IUPAC Name: 1-(2-fluorophenyl)piperazine SMILES: C1CN(CCN1)C2=CC=CC=C2F

PubChem CID 70529
CAS 1011-15-0
Molecular Weight (g/mol) 180.22
MDL Number MFCD00040726
SMILES C1CN(CCN1)C2=CC=CC=C2F
Synonym 1-2-fluorophenyl piperazine,1-2-fluorophenyl-piperazine,1-2-fluoro-phenyl-piperazine,piperazine, 1-2-fluorophenyl,chembl9429,2-fluorophenyl piperazine,ofpp,pubchem8573,1-2-fluorophenyl piperazinehydrochloride,2-fluorophenylpiperazine
IUPAC Name 1-(2-fluorophenyl)piperazine
InChI Key IVTZRJKKXSKXKO-UHFFFAOYSA-N
Molecular Formula C10H13FN2