[3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone

C34H42N2O2 — CID 10279216

About [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone

[3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone (PubChem CID 10279216) has the molecular formula C34H42N2O2 and a molecular weight of 510.72 g/mol. Its IUPAC name is [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

• Compound Name: [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
• PubChem CID: 10279216
• Molecular Formula: C34H42N2O2
• Molecular Weight: 510.72 g/mol
• Exact Mass: 510.32
• IUPAC Name: [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone
• SMILES: Cc1ccc(C2(CCCN3CCC(O)(c4ccccc4)CC3)CCCN(C(=O)c3ccccc3)C2)cc1C
• InChI: InChI=1S/C34H42N2O2/c1-27-15-16-31(25-28(27)2)33(18-10-22-36(26-33)32(37)29-11-5-3-6-12-29)17-9-21-35-23-19-34(38,20-24-35)30-13-7-4-8-14-30/h3-8,11-16,25,38H,9-10,17-24,26H2,1-2H3
• InChIKey: QTMKGJIJKHPSGB-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 43.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.72
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?

The IUPAC name of [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone (CID 10279216) is [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone.

What is the SMILES notation for [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?

The canonical SMILES for [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone is Cc1ccc(C2(CCCN3CCC(O)(c4ccccc4)CC3)CCCN(C(=O)c3ccccc3)C2)cc1C.

What is the InChIKey of [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?

The InChIKey is QTMKGJIJKHPSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2O2/c1-27-15-16-31(25-28(27)2)33(18-10-22-36(26-33)32(37)29-11-5-3-6-12-29)17-9-21-35-23-19-34(38,20-24-35)30-13-7-4-8-14-30/h3-8,11-16,25,38H,9-10,17-24,26H2,1-2H3.

What are the key properties of [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone?

[3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 510.72 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,4-dimethylphenyl)-3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 10279216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).