1-(2-chloro-3-fluorophenyl)piperidin-4-one

C11H11ClFNO — CID 164645417

IUPAC1-(2-chloro-3-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cccc(F)c2Cl)CC1
InChIInChI=1S/C11H11ClFNO/c12-11-9(13)2-1-3-10(11)14-6-4-8(15)5-7-14/h1-3H,4-7H2
InChIKeyICPYGXGTFQZOSJ-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.65
Rot. Bonds1

About 1-(2-chloro-3-fluorophenyl)piperidin-4-one

1-(2-chloro-3-fluorophenyl)piperidin-4-one (PubChem CID 164645417) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)piperidin-4-one
PubChem CID164645417
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name1-(2-chloro-3-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(c2cccc(F)c2Cl)CC1
InChIInChI=1S/C11H11ClFNO/c12-11-9(13)2-1-3-10(11)14-6-4-8(15)5-7-14/h1-3H,4-7H2
InChIKeyICPYGXGTFQZOSJ-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-3-fluorophenyl)piperidin-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 1-(2-chloro-3-fluorophenyl)piperidin-4-one?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)piperidin-4-one (CID 164645417) is 1-(2-chloro-3-fluorophenyl)piperidin-4-one.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)piperidin-4-one?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)piperidin-4-one is O=C1CCN(c2cccc(F)c2Cl)CC1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)piperidin-4-one?
The InChIKey is ICPYGXGTFQZOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-11-9(13)2-1-3-10(11)14-6-4-8(15)5-7-14/h1-3H,4-7H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)piperidin-4-one?
1-(2-chloro-3-fluorophenyl)piperidin-4-one has a molecular weight of 227.67 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)piperidin-4-one is sourced from PubChem (CID 164645417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).