3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one

C13H16FNO — CID 118991776

IUPAC3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one
SMILESCN1CCC(=O)C(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO/c1-15-7-6-13(16)11(9-15)8-10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyBZQKDLTWPTZQHS-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.89
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one

3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one (PubChem CID 118991776) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one
PubChem CID118991776
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one
SMILESCN1CCC(=O)C(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO/c1-15-7-6-13(16)11(9-15)8-10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyBZQKDLTWPTZQHS-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one 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 3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one (CID 118991776) is 3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one is CN1CCC(=O)C(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one?
The InChIKey is BZQKDLTWPTZQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-15-7-6-13(16)11(9-15)8-10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one?
3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one has a molecular weight of 221.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one is sourced from PubChem (CID 118991776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).