1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one

C15H18ClNO — CID 68799670

IUPAC1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one
SMILESCC1CN(CC=Cc2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C15H18ClNO/c1-12-11-17(10-8-15(12)18)9-2-3-13-4-6-14(16)7-5-13/h2-7,12H,8-11H2,1H3
InChIKeyHOFWVAOIYFQWOU-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.26
Rot. Bonds3

About 1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one

1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one (PubChem CID 68799670) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one
PubChem CID68799670
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one
SMILESCC1CN(CC=Cc2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C15H18ClNO/c1-12-11-17(10-8-15(12)18)9-2-3-13-4-6-14(16)7-5-13/h2-7,12H,8-11H2,1H3
InChIKeyHOFWVAOIYFQWOU-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(4-chlorophenyl)prop-2-enyl]-3-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 1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one?
The IUPAC name of 1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one (CID 68799670) is 1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one is CC1CN(CC=Cc2ccc(Cl)cc2)CCC1=O.
What is the InChIKey of 1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one?
The InChIKey is HOFWVAOIYFQWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-12-11-17(10-8-15(12)18)9-2-3-13-4-6-14(16)7-5-13/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one?
1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one has a molecular weight of 263.77 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one is sourced from PubChem (CID 68799670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).