1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone

C21H24FNO — CID 22248253

IUPAC1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone
SMILESCC1CC(C(=O)Cc2ccccc2F)CCN1Cc1ccccc1
InChIInChI=1S/C21H24FNO/c1-16-13-19(21(24)14-18-9-5-6-10-20(18)22)11-12-23(16)15-17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3
InChIKeyOMPISEDCSSUYAY-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.24
Rot. Bonds5

About 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone

1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone (PubChem CID 22248253) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone
PubChem CID22248253
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone
SMILESCC1CC(C(=O)Cc2ccccc2F)CCN1Cc1ccccc1
InChIInChI=1S/C21H24FNO/c1-16-13-19(21(24)14-18-9-5-6-10-20(18)22)11-12-23(16)15-17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3
InChIKeyOMPISEDCSSUYAY-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone 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 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone (CID 22248253) is 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone is CC1CC(C(=O)Cc2ccccc2F)CCN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone?
The InChIKey is OMPISEDCSSUYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c1-16-13-19(21(24)14-18-9-5-6-10-20(18)22)11-12-23(16)15-17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3.
What are the key properties of 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone?
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone has a molecular weight of 325.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 22248253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).