2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride

C20H24ClNO — CID 14280772

IUPAC2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride
SMILESCl.O=C(CN1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23NO.ClH/c22-20(19-9-5-2-6-10-19)16-21-13-11-18(12-14-21)15-17-7-3-1-4-8-17;/h1-10,18H,11-16H2;1H
InChIKeyJYCMQJCNGSUANC-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.25
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride

2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride (PubChem CID 14280772) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride
PubChem CID14280772
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride
SMILESCl.O=C(CN1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23NO.ClH/c22-20(19-9-5-2-6-10-19)16-21-13-11-18(12-14-21)15-17-7-3-1-4-8-17;/h1-10,18H,11-16H2;1H
InChIKeyJYCMQJCNGSUANC-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride (CID 14280772) is 2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride is Cl.O=C(CN1CCC(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride?
The InChIKey is JYCMQJCNGSUANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.ClH/c22-20(19-9-5-2-6-10-19)16-21-13-11-18(12-14-21)15-17-7-3-1-4-8-17;/h1-10,18H,11-16H2;1H.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride?
2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-phenylethanone;hydrochloride is sourced from PubChem (CID 14280772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).