[5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen

C30H33N3O2 — CID 159758567

About [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen

[5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 159758567) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 159758567
• Molecular Formula: C30H33N3O2
• Molecular Weight: 467.61 g/mol
• Exact Mass: 467.26
• IUPAC Name: [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
• SMILES: Cc1ncc(-c2ccccc2CO)cc1C(=O)c1cccc(N2CCCC(c3ccccc3)C2)n1.[H][H].[H][H]
• InChI: InChI=1S/C30H29N3O2.2H2/c1-21-27(17-25(18-31-21)26-13-6-5-11-24(26)20-34)30(35)28-14-7-15-29(32-28)33-16-8-12-23(19-33)22-9-3-2-4-10-22;;/h2-7,9-11,13-15,17-18,23,34H,8,12,16,19-20H2,1H3;2*1H
• InChIKey: NEOUIBQSKWWONE-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 66.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.61
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

The IUPAC name of [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (CID 159758567) is [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

What is the SMILES notation for [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

The canonical SMILES for [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is Cc1ncc(-c2ccccc2CO)cc1C(=O)c1cccc(N2CCCC(c3ccccc3)C2)n1.[H][H].[H][H].

What is the InChIKey of [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

The InChIKey is NEOUIBQSKWWONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2.2H2/c1-21-27(17-25(18-31-21)26-13-6-5-11-24(26)20-34)30(35)28-14-7-15-29(32-28)33-16-8-12-23(19-33)22-9-3-2-4-10-22;;/h2-7,9-11,13-15,17-18,23,34H,8,12,16,19-20H2,1H3;2*1H.

What are the key properties of [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?

[5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 467.61 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 159758567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).