2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid

C164H197Br2ClN26O4 — CID 159063898

IUPAC2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid
SMILESBrc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.Brc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.CO/C=N/c1ccc(C2CCNCC2)nc1.Cc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(C2CCNCC2)nc1C.Clc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.NC(=O)c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Nc1ccc(C2CCNCC2)nc1.O=C(O)c1ccc(C2CCNCC2)nc1.[C-]#[N+]c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.c1ccc(-c2ccc(C3CCNCC3)nc2)cc1
InChIInChI=1S/C18H21N3O.C18H19N3.C18H22N2.C17H19BrN2.C16H17BrN2.C16H17ClN2.C16H18N2.C12H17N3O.C12H18N2.C11H14N2O2.C10H15N3/c19-18(22)16-6-7-17(20-12-16)15-8-10-21(11-9-15)13-14-4-2-1-3-5-14;1-19-17-7-8-18(20-13-17)16-9-11-21(12-10-16)14-15-5-3-2-4-6-15;1-15-7-8-18(19-13-15)17-9-11-20(12-10-17)14-16-5-3-2-4-6-16;18-16-6-7-17(19-12-16)15-8-10-20(11-9-15)13-14-4-2-1-3-5-14;2*17-15-4-1-12(2-5-15)14-3-6-16(19-11-14)13-7-9-18-10-8-13;1-2-4-13(5-3-1)15-6-7-16(18-12-15)14-8-10-17-11-9-14;1-16-9-15-11-2-3-12(14-8-11)10-4-6-13-7-5-10;1-9-3-4-12(14-10(9)2)11-5-7-13-8-6-11;14-11(15)9-1-2-10(13-7-9)8-3-5-12-6-4-8;11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-7,12,15H,8-11,13H2,(H2,19,22);2-8,13,16H,9-12,14H2;2-8,13,17H,9-12,14H2,1H3;1-7,12,15H,8-11,13H2;2*1-6,11,13,18H,7-10H2;1-7,12,14,17H,8-11H2;2-3,8-10,13H,4-7H2,1H3;3-4,11,13H,5-8H2,1-2H3;1-2,7-8,12H,3-6H2,(H,14,15);1-2,7-8,12H,3-6,11H2/b;;;;;;;15-9+;;;
InChIKeyJYUSFGMUETUANJ-YHBMSZBOSA-N
MW2791.82 g/mol
LogP32.03
Rot. Bonds26

About 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid

2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid (PubChem CID 159063898) has the molecular formula C164H197Br2ClN26O4 and a molecular weight of 2791.82 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid
PubChem CID159063898
Molecular FormulaC164H197Br2ClN26O4
Molecular Weight2791.82 g/mol
Exact Mass2787.41
IUPAC Name2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid
SMILESBrc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.Brc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.CO/C=N/c1ccc(C2CCNCC2)nc1.Cc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(C2CCNCC2)nc1C.Clc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.NC(=O)c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Nc1ccc(C2CCNCC2)nc1.O=C(O)c1ccc(C2CCNCC2)nc1.[C-]#[N+]c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.c1ccc(-c2ccc(C3CCNCC3)nc2)cc1
InChIInChI=1S/C18H21N3O.C18H19N3.C18H22N2.C17H19BrN2.C16H17BrN2.C16H17ClN2.C16H18N2.C12H17N3O.C12H18N2.C11H14N2O2.C10H15N3/c19-18(22)16-6-7-17(20-12-16)15-8-10-21(11-9-15)13-14-4-2-1-3-5-14;1-19-17-7-8-18(20-13-17)16-9-11-21(12-10-16)14-15-5-3-2-4-6-15;1-15-7-8-18(19-13-15)17-9-11-20(12-10-17)14-16-5-3-2-4-6-16;18-16-6-7-17(19-12-16)15-8-10-20(11-9-15)13-14-4-2-1-3-5-14;2*17-15-4-1-12(2-5-15)14-3-6-16(19-11-14)13-7-9-18-10-8-13;1-2-4-13(5-3-1)15-6-7-16(18-12-15)14-8-10-17-11-9-14;1-16-9-15-11-2-3-12(14-8-11)10-4-6-13-7-5-10;1-9-3-4-12(14-10(9)2)11-5-7-13-8-6-11;14-11(15)9-1-2-10(13-7-9)8-3-5-12-6-4-8;11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-7,12,15H,8-11,13H2,(H2,19,22);2-8,13,16H,9-12,14H2;2-8,13,17H,9-12,14H2,1H3;1-7,12,15H,8-11,13H2;2*1-6,11,13,18H,7-10H2;1-7,12,14,17H,8-11H2;2-3,8-10,13H,4-7H2,1H3;3-4,11,13H,5-8H2,1-2H3;1-2,7-8,12H,3-6H2,(H,14,15);1-2,7-8,12H,3-6,11H2/b;;;;;;;15-9+;;;
InChIKeyJYUSFGMUETUANJ-YHBMSZBOSA-N
XLogP32.03
TPSA371.32 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002791.82
LogP ≤ 532.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid with MolForge

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Related Compounds

Benzyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]piperidine-1-carboxylate;benzyl 4-(5-carbamoyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]piperidine-1-carboxylate;benzyl 4-[5-(methoxymethylideneamino)-2-pyridinyl]piperidine-1-carboxylate;benzyl 4-(5-phenyl-2-pyridinyl)piperidine-1-carboxylate
CID 157464327
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-bromopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-methylpyridine;5-(4-bromophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;5-bromo-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;5-(4-chlorophenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;5-isocyano-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;methyl N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]methanimidate;5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;6-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-3-amine;6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide;6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxylic acid
CID 157663010
Benzyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-(5-carbamoyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]piperidine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[5-(methoxymethylideneamino)-2-pyridinyl]piperidine-1-carboxylate;benzyl 4-(5-phenyl-2-pyridinyl)piperidine-1-carboxylate
CID 157867485
benzyl 4-(5-amino-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5-isocyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(methoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5-phenyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158318165
2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridin-3-amine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid
CID 158474729
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-bromophenyl)pyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-(4-chlorophenyl)pyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dimethylpyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-isocyanopyridine;2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenylpyridine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine;6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-3-carboxamide;benzyl 4-(5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;methyl N-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]methanimidate
CID 159342725
benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 159459904
magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide
CID 159661887
6-[[Bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;[4-(2-methoxy-2-oxoethyl)phenyl]chloranuidylazanium;methyl 2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]acetate
CID 160661066
6-[(S)-[(3,4-dichlorobenzoyl)amino]-phenylmethyl]pyridine-3-carboxylic acid;3,4-dichloro-N-[(S)-[5-[(dimethylamino)methyl]-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-[5-(dimethylamino)-2-pyridinyl]-phenylmethyl]benzamide;3,4-dichloro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 160757505
magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide
CID 161307533
magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide
CID 161307534

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid (CID 159063898) is 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid is Brc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.Brc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.CO/C=N/c1ccc(C2CCNCC2)nc1.Cc1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Cc1ccc(C2CCNCC2)nc1C.Clc1ccc(-c2ccc(C3CCNCC3)nc2)cc1.NC(=O)c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.Nc1ccc(C2CCNCC2)nc1.O=C(O)c1ccc(C2CCNCC2)nc1.[C-]#[N+]c1ccc(C2CCN(Cc3ccccc3)CC2)nc1.c1ccc(-c2ccc(C3CCNCC3)nc2)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid?
The InChIKey is JYUSFGMUETUANJ-YHBMSZBOSA-N. The full InChI is InChI=1S/C18H21N3O.C18H19N3.C18H22N2.C17H19BrN2.C16H17BrN2.C16H17ClN2.C16H18N2.C12H17N3O.C12H18N2.C11H14N2O2.C10H15N3/c19-18(22)16-6-7-17(20-12-16)15-8-10-21(11-9-15)13-14-4-2-1-3-5-14;1-19-17-7-8-18(20-13-17)16-9-11-21(12-10-16)14-15-5-3-2-4-6-15;1-15-7-8-18(19-13-15)17-9-11-20(12-10-17)14-16-5-3-2-4-6-16;18-16-6-7-17(19-12-16)15-8-10-20(11-9-15)13-14-4-2-1-3-5-14;2*17-15-4-1-12(2-5-15)14-3-6-16(19-11-14)13-7-9-18-10-8-13;1-2-4-13(5-3-1)15-6-7-16(18-12-15)14-8-10-17-11-9-14;1-16-9-15-11-2-3-12(14-8-11)10-4-6-13-7-5-10;1-9-3-4-12(14-10(9)2)11-5-7-13-8-6-11;14-11(15)9-1-2-10(13-7-9)8-3-5-12-6-4-8;11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-7,12,15H,8-11,13H2,(H2,19,22);2-8,13,16H,9-12,14H2;2-8,13,17H,9-12,14H2,1H3;1-7,12,15H,8-11,13H2;2*1-6,11,13,18H,7-10H2;1-7,12,14,17H,8-11H2;2-3,8-10,13H,4-7H2,1H3;3-4,11,13H,5-8H2,1-2H3;1-2,7-8,12H,3-6H2,(H,14,15);1-2,7-8,12H,3-6,11H2/b;;;;;;;15-9+;;;.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid?
2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid has a molecular weight of 2791.82 g/mol, XLogP of 32.03, 26 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-5-bromopyridine;2-(1-benzylpiperidin-4-yl)-5-isocyanopyridine;2-(1-benzylpiperidin-4-yl)-5-methylpyridine;6-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide;5-(4-bromophenyl)-2-piperidin-4-ylpyridine;5-(4-chlorophenyl)-2-piperidin-4-ylpyridine;2,3-dimethyl-6-piperidin-4-ylpyridine;methyl N-(6-piperidin-4-yl-3-pyridinyl)methanimidate;5-phenyl-2-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-3-amine;6-piperidin-4-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 159063898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).