1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride

C84H98BrClN10O — CID 158542908

IUPAC1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride
SMILESBrc1ccc(CC2CCCCN2Cc2ccccc2)cc1.Cc1ccc(C)n1-c1cccc(-c2ccc(CC3CCCCN3Cc3ccccc3)cc2)n1.Cc1ccc(C)n1-c1ccccn1.Cl.NO.Nc1cccc(-c2ccc(CC3CCCCN3Cc3ccccc3)cc2)n1
InChIInChI=1S/C30H33N3.C24H27N3.C19H22BrN.C11H12N2.ClH.H3NO/c1-23-14-15-24(2)33(23)30-13-8-12-29(31-30)27-18-16-25(17-19-27)21-28-11-6-7-20-32(28)22-26-9-4-3-5-10-26;25-24-11-6-10-23(26-24)21-14-12-19(13-15-21)17-22-9-4-5-16-27(22)18-20-7-2-1-3-8-20;20-18-11-9-16(10-12-18)14-19-8-4-5-13-21(19)15-17-6-2-1-3-7-17;1-9-6-7-10(2)13(9)11-5-3-4-8-12-11;;1-2/h3-5,8-10,12-19,28H,6-7,11,20-22H2,1-2H3;1-3,6-8,10-15,22H,4-5,9,16-18H2,(H2,25,26);1-3,6-7,9-12,19H,4-5,8,13-15H2;3-8H,1-2H3;1H;2H,1H2
InChIKeyYBJFXRBSOWBOIX-UHFFFAOYSA-N
MW1379.13 g/mol
LogP18.97
Rot. Bonds16

About 1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride

1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride (PubChem CID 158542908) has the molecular formula C84H98BrClN10O and a molecular weight of 1379.13 g/mol. Its IUPAC name is 1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride
PubChem CID158542908
Molecular FormulaC84H98BrClN10O
Molecular Weight1379.13 g/mol
Exact Mass1376.68
IUPAC Name1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride
SMILESBrc1ccc(CC2CCCCN2Cc2ccccc2)cc1.Cc1ccc(C)n1-c1cccc(-c2ccc(CC3CCCCN3Cc3ccccc3)cc2)n1.Cc1ccc(C)n1-c1ccccn1.Cl.NO.Nc1cccc(-c2ccc(CC3CCCCN3Cc3ccccc3)cc2)n1
InChIInChI=1S/C30H33N3.C24H27N3.C19H22BrN.C11H12N2.ClH.H3NO/c1-23-14-15-24(2)33(23)30-13-8-12-29(31-30)27-18-16-25(17-19-27)21-28-11-6-7-20-32(28)22-26-9-4-3-5-10-26;25-24-11-6-10-23(26-24)21-14-12-19(13-15-21)17-22-9-4-5-16-27(22)18-20-7-2-1-3-8-20;20-18-11-9-16(10-12-18)14-19-8-4-5-13-21(19)15-17-6-2-1-3-7-17;1-9-6-7-10(2)13(9)11-5-3-4-8-12-11;;1-2/h3-5,8-10,12-19,28H,6-7,11,20-22H2,1-2H3;1-3,6-8,10-15,22H,4-5,9,16-18H2,(H2,25,26);1-3,6-7,9-12,19H,4-5,8,13-15H2;3-8H,1-2H3;1H;2H,1H2
InChIKeyYBJFXRBSOWBOIX-UHFFFAOYSA-N
XLogP18.97
TPSA130.52 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.13
LogP ≤ 518.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride with MolForge

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Related Compounds

6-(4-bromo-3-methylphenyl)-1-pyridin-2-yl-2,4-bis(6-pyridin-2-yl-2-pyridinyl)-2H-1,3,5-triazine
CID 68587492
2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium
CID 157188253
1-Benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 157274270
2-(6-bromo-2-pyridinyl)-3H-indole;ethane;6-(3H-indol-2-yl)-N-pyridin-2-ylpyridin-2-amine;methane;pyridin-2-amine
CID 157399503
2,6-bis(2,5-dimethylpyrrol-1-yl)-4-[(E)-1-phenyl-2-pyridin-2-ylethenyl]pyridine;2,6-bis(2,5-dimethylpyrrol-1-yl)-4-[(Z)-2-phenyl-1-pyridin-2-ylethenyl]pyridine;4-[(E)-1-phenyl-2-pyridin-2-ylethenyl]pyridine-2,6-diamine
CID 157830343
6-[(2S)-2-amino-2-[3-[2-(4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine;6-[(2R)-2-amino-2-[3-[2-(4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine;1-(bromomethyl)-3-isocyanobenzene;4,6-dimethyl-2H-pyridin-2-ylium;(S)-N-[(1R)-2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-1-[3-[2-(4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide;N-[(1S)-2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]-1-[3-[2-(4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-2-methylpropane-2-sulfinamide;2-[2-(3-isocyanophenyl)ethyl]-4-methylpyridine;methane;1-methyl-3-[2-(3-methylphenyl)ethyl]benzene;(S)-2-methyl-N-[[3-[2-(4-methyl-2-pyridinyl)ethyl]phenyl]methylidene]propane-2-sulfinamide
CID 157863836
aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine
CID 158048630
2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid
CID 158316926
2-N-[(1R,2S)-2-aminocyclohexyl]-6-N-[(4-bromophenyl)methyl]-9-propan-2-ylpurine-2,6-diamine;2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-[(4-pyridin-2-ylphenyl)methyl]purine-2,6-diamine;cis-(1R,2S)-cyclohexane-1,2-diamine;ethanol;2-methylpyridine
CID 158672793
4-Bromo-1,6-dimethylisoquinoline;4-bromo-6-methylisoquinolin-1-amine;4-bromo-6-methylisoquinoline;4-bromo-6-methyl-2-oxidoisoquinolin-2-ium;4-bromo-6-methyl-1-pyridin-1-ium-1-ylisoquinoline
CID 159102025
5-(1-aminopropyl)-N,N-dimethylpyridin-2-amine;5-[1-(benzylamino)propyl]-N,N-dimethylpyridin-2-amine;5-bromo-N,N-dimethylpyridin-2-amine;5-bromo-2-methylpyridine;5-bromopyridin-2-amine;N,N-dimethyl-5-[(E)-prop-1-enyl]pyridin-2-amine;iodomethane;phenylmethanamine
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6-[[2-(4-Bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;6-[[2-(2-chlorophenyl)-5-(4-pyridin-3-ylphenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyridin-3-ylboronic acid
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride?
The IUPAC name of 1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride (CID 158542908) is 1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride.
What is the SMILES notation for 1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride?
The canonical SMILES for 1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride is Brc1ccc(CC2CCCCN2Cc2ccccc2)cc1.Cc1ccc(C)n1-c1cccc(-c2ccc(CC3CCCCN3Cc3ccccc3)cc2)n1.Cc1ccc(C)n1-c1ccccn1.Cl.NO.Nc1cccc(-c2ccc(CC3CCCCN3Cc3ccccc3)cc2)n1.
What is the InChIKey of 1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride?
The InChIKey is YBJFXRBSOWBOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3.C24H27N3.C19H22BrN.C11H12N2.ClH.H3NO/c1-23-14-15-24(2)33(23)30-13-8-12-29(31-30)27-18-16-25(17-19-27)21-28-11-6-7-20-32(28)22-26-9-4-3-5-10-26;25-24-11-6-10-23(26-24)21-14-12-19(13-15-21)17-22-9-4-5-16-27(22)18-20-7-2-1-3-8-20;20-18-11-9-16(10-12-18)14-19-8-4-5-13-21(19)15-17-6-2-1-3-7-17;1-9-6-7-10(2)13(9)11-5-3-4-8-12-11;;1-2/h3-5,8-10,12-19,28H,6-7,11,20-22H2,1-2H3;1-3,6-8,10-15,22H,4-5,9,16-18H2,(H2,25,26);1-3,6-7,9-12,19H,4-5,8,13-15H2;3-8H,1-2H3;1H;2H,1H2.
What are the key properties of 1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride?
1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride has a molecular weight of 1379.13 g/mol, XLogP of 18.97, 16 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(4-bromophenyl)methyl]piperidine;2-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]-6-(2,5-dimethylpyrrol-1-yl)pyridine;6-[4-[(1-benzylpiperidin-2-yl)methyl]phenyl]pyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)pyridine;hydroxylamine;hydrochloride is sourced from PubChem (CID 158542908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).