4-(3-chlorophenyl)-3-propylpiperidine

C14H20ClN — CID 79321401

IUPAC4-(3-chlorophenyl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-2-4-12-10-16-8-7-14(12)11-5-3-6-13(15)9-11/h3,5-6,9,12,14,16H,2,4,7-8,10H2,1H3
InChIKeyJKPLQHOXZHZUJS-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.83
Rot. Bonds3

About 4-(3-chlorophenyl)-3-propylpiperidine

4-(3-chlorophenyl)-3-propylpiperidine (PubChem CID 79321401) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-propylpiperidine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-propylpiperidine
PubChem CID79321401
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name4-(3-chlorophenyl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-2-4-12-10-16-8-7-14(12)11-5-3-6-13(15)9-11/h3,5-6,9,12,14,16H,2,4,7-8,10H2,1H3
InChIKeyJKPLQHOXZHZUJS-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-chlorophenyl)-3-propylpiperidine 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 4-(3-chlorophenyl)-3-propylpiperidine?
The IUPAC name of 4-(3-chlorophenyl)-3-propylpiperidine (CID 79321401) is 4-(3-chlorophenyl)-3-propylpiperidine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-propylpiperidine?
The canonical SMILES for 4-(3-chlorophenyl)-3-propylpiperidine is CCCC1CNCCC1c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-propylpiperidine?
The InChIKey is JKPLQHOXZHZUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-2-4-12-10-16-8-7-14(12)11-5-3-6-13(15)9-11/h3,5-6,9,12,14,16H,2,4,7-8,10H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-3-propylpiperidine?
4-(3-chlorophenyl)-3-propylpiperidine has a molecular weight of 237.77 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-propylpiperidine is sourced from PubChem (CID 79321401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).