1-[2-(4-chlorophenyl)ethyl]piperidin-4-one

C13H16ClNO — CID 11959626

IUPAC1-[2-(4-chlorophenyl)ethyl]piperidin-4-one
SMILESO=C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO/c14-12-3-1-11(2-4-12)5-8-15-9-6-13(16)7-10-15/h1-4H,5-10H2
InChIKeyZBUUXRDVSJDORY-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.55
Rot. Bonds3

About 1-[2-(4-chlorophenyl)ethyl]piperidin-4-one

1-[2-(4-chlorophenyl)ethyl]piperidin-4-one (PubChem CID 11959626) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]piperidin-4-one
PubChem CID11959626
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-[2-(4-chlorophenyl)ethyl]piperidin-4-one
SMILESO=C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO/c14-12-3-1-11(2-4-12)5-8-15-9-6-13(16)7-10-15/h1-4H,5-10H2
InChIKeyZBUUXRDVSJDORY-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-chlorophenyl)ethyl]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-(4-chlorophenyl)ethyl]piperidin-4-one?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]piperidin-4-one (CID 11959626) is 1-[2-(4-chlorophenyl)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]piperidin-4-one is O=C1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]piperidin-4-one?
The InChIKey is ZBUUXRDVSJDORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-12-3-1-11(2-4-12)5-8-15-9-6-13(16)7-10-15/h1-4H,5-10H2.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]piperidin-4-one?
1-[2-(4-chlorophenyl)ethyl]piperidin-4-one has a molecular weight of 237.73 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]piperidin-4-one is sourced from PubChem (CID 11959626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).