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Piperidines

Organic heterocyclic compounds that consist of a six-membered ring containing five carbon atoms and one nitrogen atom that forms an amine functional group.

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2

Piperine, 98%

CAS: 94-62-2 Molecular Formula: C17H19NO3 Molecular Weight (g/mol): 285.34 MDL Number: MFCD00005839 InChI Key: MXXWOMGUGJBKIW-YPCIICBESA-N Synonym: piperine,1-piperoylpiperidine,piperin,bioperine,piperoylpiperidine,e,e-1-piperoylpiperidine,n-e,e-piperoyl piperidine,piperidine, 1-piperoyl-, e,e,unii-u71xl721qk,fema no. 2909 PubChem CID: 638024 ChEBI: CHEBI:28821 IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one SMILES: O=C(\C=C\C=C\C1=CC=C2OCOC2=C1)N1CCCCC1

PubChem CID 638024
CAS 94-62-2
Molecular Weight (g/mol) 285.34
ChEBI CHEBI:28821
MDL Number MFCD00005839
SMILES O=C(\C=C\C=C\C1=CC=C2OCOC2=C1)N1CCCCC1
Synonym piperine,1-piperoylpiperidine,piperin,bioperine,piperoylpiperidine,e,e-1-piperoylpiperidine,n-e,e-piperoyl piperidine,piperidine, 1-piperoyl-, e,e,unii-u71xl721qk,fema no. 2909
IUPAC Name (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
InChI Key MXXWOMGUGJBKIW-YPCIICBESA-N
Molecular Formula C17H19NO3
3

Thermo Scientific Chemicals Isonipecotic Acid, 99%

CAS: 498-94-2 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.16 MDL Number: MFCD00006004 InChI Key: SRJOCJYGOFTFLH-UHFFFAOYSA-N Synonym: isonipecotic acid,4-piperidinecarboxylic acid,4-carboxypiperidine,hexahydroisonicotinic acid,dl-isopipecolinic acid,isonicotinic acid, hexahydro,h-inp-oh,acide isonipecotique,4-hexahydroisonicotinic acid,unii-m5tzp1rwie PubChem CID: 3773 IUPAC Name: piperidine-4-carboxylic acid SMILES: OC(=O)C1CCNCC1

PubChem CID 3773
CAS 498-94-2
Molecular Weight (g/mol) 129.16
MDL Number MFCD00006004
SMILES OC(=O)C1CCNCC1
Synonym isonipecotic acid,4-piperidinecarboxylic acid,4-carboxypiperidine,hexahydroisonicotinic acid,dl-isopipecolinic acid,isonicotinic acid, hexahydro,h-inp-oh,acide isonipecotique,4-hexahydroisonicotinic acid,unii-m5tzp1rwie
IUPAC Name piperidine-4-carboxylic acid
InChI Key SRJOCJYGOFTFLH-UHFFFAOYSA-N
Molecular Formula C6H11NO2
4

Tedalinab, TRC

CAS: 916591-01-0 Molecular Formula: C19H21F2N3O Molecular Weight (g/mol): 345.39 Synonym: (4S,7R)-1-(2,4-Difluorophenyl)-N-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-4,7-methano-1H-indazole-3-carboxamide SMILES: CC(C)(C)NC(=O)c1nn(c2[C@@H]3CC[C@@H](C3)c12)c4ccc(F)cc4F

CAS 916591-01-0
Molecular Weight (g/mol) 345.39
SMILES CC(C)(C)NC(=O)c1nn(c2[C@@H]3CC[C@@H](C3)c12)c4ccc(F)cc4F
Synonym (4S,7R)-1-(2,4-Difluorophenyl)-N-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-4,7-methano-1H-indazole-3-carboxamide
Molecular Formula C19H21F2N3O
5

Niraparib, TRC

CAS: 1038915-60-4 Molecular Formula: C19 H20 N4 O Molecular Weight (g/mol): 320.39 Synonym: 2H-Indazole-7-carboxamide, 2-[4-(3S)-3-piperidinylphenyl]-,2-[4-(3S)-3-Piperidinylphenyl]-2H-indazole-7-carboxamide,Niraparib,Zejula IUPAC Name: 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide SMILES: NC(=O)c1cccc2cn(nc12)c3ccc(cc3)[C@@H]4CCCNC4

CAS 1038915-60-4
Molecular Weight (g/mol) 320.39
SMILES NC(=O)c1cccc2cn(nc12)c3ccc(cc3)[C@@H]4CCCNC4
Synonym 2H-Indazole-7-carboxamide, 2-[4-(3S)-3-piperidinylphenyl]-,2-[4-(3S)-3-Piperidinylphenyl]-2H-indazole-7-carboxamide,Niraparib,Zejula
IUPAC Name 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
Molecular Formula C19 H20 N4 O
6

(S)-1-BOC-3-(Aminomethyl)piperidine, 97%

CAS: 140645-24-5 Molecular Formula: C11H22N2O2 Molecular Weight (g/mol): 214.31 InChI Key: WPWXYQIMXTUMJB-VIFPVBQESA-N Synonym: s-1-boc-3-aminomethyl piperidine,s-n-boc-3-aminomethylpiperidine,s-3-aminomethyl-1-boc-piperidine,s-tert-butyl 3-aminomethyl piperidine-1-carboxylate,s-1-n-boc-3-aminomethyl piperidine,s-3-aminomethyl-1-n-boc-piperidine,tert-butyl 3s-3-aminomethyl piperidine-1-carboxylate,s-3-aminomethyl-piperidine-1-carboxylic acid tert-butyl ester,s-1-n-boc-piperidine-3-methylamine,3s-3-aminomethyl-n-tert-butoxycarbonylpiperidine PubChem CID: 1502022 IUPAC Name: tert-butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(C1)CN

PubChem CID 1502022
CAS 140645-24-5
Molecular Weight (g/mol) 214.31
SMILES CC(C)(C)OC(=O)N1CCCC(C1)CN
Synonym s-1-boc-3-aminomethyl piperidine,s-n-boc-3-aminomethylpiperidine,s-3-aminomethyl-1-boc-piperidine,s-tert-butyl 3-aminomethyl piperidine-1-carboxylate,s-1-n-boc-3-aminomethyl piperidine,s-3-aminomethyl-1-n-boc-piperidine,tert-butyl 3s-3-aminomethyl piperidine-1-carboxylate,s-3-aminomethyl-piperidine-1-carboxylic acid tert-butyl ester,s-1-n-boc-piperidine-3-methylamine,3s-3-aminomethyl-n-tert-butoxycarbonylpiperidine
IUPAC Name tert-butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate
InChI Key WPWXYQIMXTUMJB-VIFPVBQESA-N
Molecular Formula C11H22N2O2
7

4-Phenylpiperidine, 98%

CAS: 771-99-3 Molecular Formula: C11H15N Molecular Weight (g/mol): 161.25 MDL Number: MFCD00006002 InChI Key: UTBULQCHEUWJNV-UHFFFAOYSA-N Synonym: 4-phenyl-piperidine,piperidine, 4-phenyl,4-phenyl piperidine,chembl20969,4-phenypiperdine,4-phenyl piperidin,pubchem8009,4-phenylpiperidine PubChem CID: 69873 IUPAC Name: 4-phenylpiperidine SMILES: C1CNCCC1C2=CC=CC=C2

PubChem CID 69873
CAS 771-99-3
Molecular Weight (g/mol) 161.25
MDL Number MFCD00006002
SMILES C1CNCCC1C2=CC=CC=C2
Synonym 4-phenyl-piperidine,piperidine, 4-phenyl,4-phenyl piperidine,chembl20969,4-phenypiperdine,4-phenyl piperidin,pubchem8009,4-phenylpiperidine
IUPAC Name 4-phenylpiperidine
InChI Key UTBULQCHEUWJNV-UHFFFAOYSA-N
Molecular Formula C11H15N
8

Ethyl nipecotate, 97%

CAS: 5006-62-2 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.21 MDL Number: MFCD00005991 InChI Key: XIWBSOUNZWSFKU-UHFFFAOYSA-N Synonym: ethyl nipecotate,ethyl 3-piperidinecarboxylate,nipecotic acid ethyl ester,3-piperidinecarboxylic acid ethyl ester,ethylpiperidine-3-carboxylate,3-ethoxycarbonyl piperidine,3-piperidinecarboxylic acid, ethyl ester,piperidine-3-carboxylic acid ethyl ester,ethylnipecotate,a-ethyl nipecotate PubChem CID: 98969 IUPAC Name: ethyl piperidine-3-carboxylate SMILES: CCOC(=O)C1CCCNC1

PubChem CID 98969
CAS 5006-62-2
Molecular Weight (g/mol) 157.21
MDL Number MFCD00005991
SMILES CCOC(=O)C1CCCNC1
Synonym ethyl nipecotate,ethyl 3-piperidinecarboxylate,nipecotic acid ethyl ester,3-piperidinecarboxylic acid ethyl ester,ethylpiperidine-3-carboxylate,3-ethoxycarbonyl piperidine,3-piperidinecarboxylic acid, ethyl ester,piperidine-3-carboxylic acid ethyl ester,ethylnipecotate,a-ethyl nipecotate
IUPAC Name ethyl piperidine-3-carboxylate
InChI Key XIWBSOUNZWSFKU-UHFFFAOYSA-N
Molecular Formula C8H15NO2
9

1-(4-Nitrophenyl)-2-piperidinone, TRC

CAS: 38560-30-4 Molecular Formula: C11H12N2O3 Molecular Weight (g/mol): 220.22 IUPAC Name: 1-(4-nitrophenyl)piperidin-2-one SMILES: [O-][N+](=O)c1ccc(cc1)N2CCCCC2=O

CAS 38560-30-4
Molecular Weight (g/mol) 220.22
SMILES [O-][N+](=O)c1ccc(cc1)N2CCCCC2=O
IUPAC Name 1-(4-nitrophenyl)piperidin-2-one
Molecular Formula C11H12N2O3
10

N-Benzyl-4-piperidone, 99%

CAS: 3612-20-2 Molecular Formula: C12H15NO Molecular Weight (g/mol): 189.26 MDL Number: MFCD00006192 InChI Key: SJZKULRDWHPHGG-UHFFFAOYSA-N Synonym: 1-benzyl-4-piperidone,n-benzyl-4-piperidone,4-piperidinone, 1-phenylmethyl,1-benzyl-4-piperidinone,1-benzylpiperidone,1-benzyl-4-oxopiperidine,1-benzyl-piperidin-4-one,n-benzyl-4-piperidine,n-benzyl-4-piperidinone,n-benzylpiperidin-4-one PubChem CID: 19220 IUPAC Name: 1-benzylpiperidin-4-one SMILES: C1CN(CCC1=O)CC2=CC=CC=C2

PubChem CID 19220
CAS 3612-20-2
Molecular Weight (g/mol) 189.26
MDL Number MFCD00006192
SMILES C1CN(CCC1=O)CC2=CC=CC=C2
Synonym 1-benzyl-4-piperidone,n-benzyl-4-piperidone,4-piperidinone, 1-phenylmethyl,1-benzyl-4-piperidinone,1-benzylpiperidone,1-benzyl-4-oxopiperidine,1-benzyl-piperidin-4-one,n-benzyl-4-piperidine,n-benzyl-4-piperidinone,n-benzylpiperidin-4-one
IUPAC Name 1-benzylpiperidin-4-one
InChI Key SJZKULRDWHPHGG-UHFFFAOYSA-N
Molecular Formula C12H15NO
11

ent-Paroxetine Hydrochloride, TRC

CAS: 130855-30-0 Molecular Formula: C19 H20 F N O3 . Cl H Molecular Weight (g/mol): 365.83 Synonym: (3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine hydrochloride,Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride, (3R,4S)- (9CI),Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride, (3R-trans)-,Paroxetine Related Compound C (USP),Paroxetine Imp. D (EP),(+)-trans-Paroxetine Hydrochloride IUPAC Name: (3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrochloride SMILES: Cl.Fc1ccc(cc1)[C@H]2CCNC[C@@H]2COc3ccc4OCOc4c3

CAS 130855-30-0
Molecular Weight (g/mol) 365.83
SMILES Cl.Fc1ccc(cc1)[C@H]2CCNC[C@@H]2COc3ccc4OCOc4c3
Synonym (3R,4S)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine hydrochloride,Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride, (3R,4S)- (9CI),Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride, (3R-trans)-,Paroxetine Related Compound C (USP),Paroxetine Imp. D (EP),(+)-trans-Paroxetine Hydrochloride
IUPAC Name (3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrochloride
Molecular Formula C19 H20 F N O3 . Cl H
12

Turkesterone, TRC

CAS: 41451-87-0 Molecular Formula: C27 H44 O8 Molecular Weight (g/mol): 496.63 Synonym: (2β,3β,5β,11α,22R)-2,3,11,14,20,22,25-Heptahydroxy-cholest-7-en-6-one IUPAC Name: (2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one SMILES: CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C

CAS 41451-87-0
Molecular Weight (g/mol) 496.63
SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
Synonym (2β,3β,5β,11α,22R)-2,3,11,14,20,22,25-Heptahydroxy-cholest-7-en-6-one
IUPAC Name (2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular Formula C27 H44 O8
13

Paroxetine Hydrochloride, TRC

CAS: 78246-49-8 Molecular Formula: C19 H20 F N O3 . Cl H Molecular Weight (g/mol): 365.83 Synonym: Paroxetine hydrochloride anhydrous,(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine hydrochloride anhydrous,Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride (1:1), (3S,4R)-,Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride, (3S,4R)- (9CI),Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride, (3S-trans)-,(-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidine hydrochloride,Aropax 20,BRL 29060 hydrochloride,BRL 29060A,Deroxat,Paroxet,Paroxetine hydrochloride,Paxil,Seroxat,Tagonis,Xanadol IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrochloride SMILES: Cl.Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3

CAS 78246-49-8
Molecular Weight (g/mol) 365.83
SMILES Cl.Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3
Synonym Paroxetine hydrochloride anhydrous,(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine hydrochloride anhydrous,Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride (1:1), (3S,4R)-,Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride, (3S,4R)- (9CI),Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride, (3S-trans)-,(-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidine hydrochloride,Aropax 20,BRL 29060 hydrochloride,BRL 29060A,Deroxat,Paroxet,Paroxetine hydrochloride,Paxil,Seroxat,Tagonis,Xanadol
IUPAC Name (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrochloride
Molecular Formula C19 H20 F N O3 . Cl H
15

MK6-83, TRC

CAS: 1062271-24-2 Molecular Formula: C16H20N2O2S2 Molecular Weight (g/mol): 336.47 Synonym: MK6-83,5-Methyl-N-[2-(1-piperidinyl)phenyl]-2-thiophenesulfonamide IUPAC Name: 5-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide SMILES: Cc1ccc(s1)S(=O)(=O)Nc2ccccc2N3CCCCC3

CAS 1062271-24-2
Molecular Weight (g/mol) 336.47
SMILES Cc1ccc(s1)S(=O)(=O)Nc2ccccc2N3CCCCC3
Synonym MK6-83,5-Methyl-N-[2-(1-piperidinyl)phenyl]-2-thiophenesulfonamide
IUPAC Name 5-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
Molecular Formula C16H20N2O2S2