1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one

C14H18ClNO2 — CID 82073439

IUPAC1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one
SMILESO=C1CCN(CCC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO2/c15-12-3-1-11(2-4-12)14(18)7-10-16-8-5-13(17)6-9-16/h1-4,14,18H,5-10H2
InChIKeyJOEGDIFKXVOTFS-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.43
Rot. Bonds4

About 1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one

1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one (PubChem CID 82073439) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one
PubChem CID82073439
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one
SMILESO=C1CCN(CCC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO2/c15-12-3-1-11(2-4-12)14(18)7-10-16-8-5-13(17)6-9-16/h1-4,14,18H,5-10H2
InChIKeyJOEGDIFKXVOTFS-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-chlorophenyl)-3-hydroxypropyl]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-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one (CID 82073439) is 1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one is O=C1CCN(CCC(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one?
The InChIKey is JOEGDIFKXVOTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-3-1-11(2-4-12)14(18)7-10-16-8-5-13(17)6-9-16/h1-4,14,18H,5-10H2.
What are the key properties of 1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one?
1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one has a molecular weight of 267.76 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one is sourced from PubChem (CID 82073439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).