5-(4-fluorophenyl)-1-methylpiperidin-2-one

C12H14FNO — CID 165415839

IUPAC5-(4-fluorophenyl)-1-methylpiperidin-2-one
SMILESCN1CC(c2ccc(F)cc2)CCC1=O
InChIInChI=1S/C12H14FNO/c1-14-8-10(4-7-12(14)15)9-2-5-11(13)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyZYNAHBOZKLOIQO-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.16
Rot. Bonds1

About 5-(4-fluorophenyl)-1-methylpiperidin-2-one

5-(4-fluorophenyl)-1-methylpiperidin-2-one (PubChem CID 165415839) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methylpiperidin-2-one
PubChem CID165415839
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name5-(4-fluorophenyl)-1-methylpiperidin-2-one
SMILESCN1CC(c2ccc(F)cc2)CCC1=O
InChIInChI=1S/C12H14FNO/c1-14-8-10(4-7-12(14)15)9-2-5-11(13)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyZYNAHBOZKLOIQO-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(4-fluorophenyl)-1-methylpiperidin-2-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 5-(4-fluorophenyl)-1-methylpiperidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-1-methylpiperidin-2-one (CID 165415839) is 5-(4-fluorophenyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-1-methylpiperidin-2-one is CN1CC(c2ccc(F)cc2)CCC1=O.
What is the InChIKey of 5-(4-fluorophenyl)-1-methylpiperidin-2-one?
The InChIKey is ZYNAHBOZKLOIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-14-8-10(4-7-12(14)15)9-2-5-11(13)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-methylpiperidin-2-one?
5-(4-fluorophenyl)-1-methylpiperidin-2-one has a molecular weight of 207.25 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 165415839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).