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

C84H94BrN9 — CID 157274270

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

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 (PubChem CID 157274270) has the molecular formula C84H94BrN9 and a molecular weight of 1309.64 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157274270
• Molecular Formula: C84H94BrN9
• Molecular Weight: 1309.64 g/mol
• Exact Mass: 1307.68
• IUPAC Name: 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
• SMILES: Brc1ccc(CC2CCCCN2Cc2ccccc2)cc1.Cc1ccc(C)n1-c1cccc(-c2ccc(CC3CCCCN3Cc3ccccc3)cc2)n1.Cc1ccc(C)n1-c1ccccn1.Nc1cccc(-c2ccc(CC3CCCCN3Cc3ccccc3)cc2)n1
• InChI: InChI=1S/C30H33N3.C24H27N3.C19H22BrN.C11H12N2/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/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
• InChIKey: AYXFBZWNXMNWIX-UHFFFAOYSA-N
• XLogP: 19.22
• TPSA: 84.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1309.64
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

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?

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 (CID 157274270) 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.

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?

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 is Brc1ccc(CC2CCCCN2Cc2ccccc2)cc1.Cc1ccc(C)n1-c1cccc(-c2ccc(CC3CCCCN3Cc3ccccc3)cc2)n1.Cc1ccc(C)n1-c1ccccn1.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?

The InChIKey is AYXFBZWNXMNWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3.C24H27N3.C19H22BrN.C11H12N2/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/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.

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?

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 has a molecular weight of 1309.64 g/mol, XLogP of 19.22, 16 rotatable bonds, 1 hydrogen bond donors, and 9 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 is sourced from PubChem (CID 157274270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).