(5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

C29H34N4O2 — CID 95350597

About (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

(5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 95350597) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 95350597
• Molecular Formula: C29H34N4O2
• Molecular Weight: 470.62 g/mol
• Exact Mass: 470.27
• IUPAC Name: (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
• SMILES: O=C(c1cc(Cc2ccccc2)ccc1O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1
• InChI: InChI=1S/C29H34N4O2/c34-27-12-11-24(19-23-7-2-1-3-8-23)20-26(27)29(35)33-14-6-9-25(22-33)21-31-15-17-32(18-16-31)28-10-4-5-13-30-28/h1-5,7-8,10-13,20,25,34H,6,9,14-19,21-22H2/t25-/m1/s1
• InChIKey: OVYQQIBBCLHXEA-RUZDIDTESA-N
• XLogP: 4.05
• TPSA: 59.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.62
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (CID 95350597) is (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is O=C(c1cc(Cc2ccccc2)ccc1O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1.

What is the InChIKey of (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is OVYQQIBBCLHXEA-RUZDIDTESA-N. The full InChI is InChI=1S/C29H34N4O2/c34-27-12-11-24(19-23-7-2-1-3-8-23)20-26(27)29(35)33-14-6-9-25(22-33)21-31-15-17-32(18-16-31)28-10-4-5-13-30-28/h1-5,7-8,10-13,20,25,34H,6,9,14-19,21-22H2/t25-/m1/s1.

What are the key properties of (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?

(5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 470.62 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95350597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).