2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone

C26H27NO — CID 10317034

IUPAC2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27NO/c28-26(25-13-11-24(12-14-25)23-9-5-2-6-10-23)19-21-15-17-27(18-16-21)20-22-7-3-1-4-8-22/h1-14,21H,15-20H2
InChIKeyNBVKYCVNARXEHZ-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.84
Rot. Bonds6

About 2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone

2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone (PubChem CID 10317034) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone
PubChem CID10317034
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27NO/c28-26(25-13-11-24(12-14-25)23-9-5-2-6-10-23)19-21-15-17-27(18-16-21)20-22-7-3-1-4-8-22/h1-14,21H,15-20H2
InChIKeyNBVKYCVNARXEHZ-UHFFFAOYSA-N
XLogP5.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone (CID 10317034) is 2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone is O=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone?
The InChIKey is NBVKYCVNARXEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO/c28-26(25-13-11-24(12-14-25)23-9-5-2-6-10-23)19-21-15-17-27(18-16-21)20-22-7-3-1-4-8-22/h1-14,21H,15-20H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone?
2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone has a molecular weight of 369.51 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 10317034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).