1-[3-(4-chlorophenyl)propyl]piperidine

C14H20ClN — CID 139238986

IUPAC1-[3-(4-chlorophenyl)propyl]piperidine
SMILESClc1ccc(CCCN2CCCCC2)cc1
InChIInChI=1S/C14H20ClN/c15-14-8-6-13(7-9-14)5-4-12-16-10-2-1-3-11-16/h6-9H,1-5,10-12H2
InChIKeyYGVZEUPFTARWCH-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.76
Rot. Bonds4

About 1-[3-(4-chlorophenyl)propyl]piperidine

1-[3-(4-chlorophenyl)propyl]piperidine (PubChem CID 139238986) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)propyl]piperidine
PubChem CID139238986
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-[3-(4-chlorophenyl)propyl]piperidine
SMILESClc1ccc(CCCN2CCCCC2)cc1
InChIInChI=1S/C14H20ClN/c15-14-8-6-13(7-9-14)5-4-12-16-10-2-1-3-11-16/h6-9H,1-5,10-12H2
InChIKeyYGVZEUPFTARWCH-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)propyl]piperidine?
The IUPAC name of 1-[3-(4-chlorophenyl)propyl]piperidine (CID 139238986) is 1-[3-(4-chlorophenyl)propyl]piperidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)propyl]piperidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)propyl]piperidine is Clc1ccc(CCCN2CCCCC2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)propyl]piperidine?
The InChIKey is YGVZEUPFTARWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c15-14-8-6-13(7-9-14)5-4-12-16-10-2-1-3-11-16/h6-9H,1-5,10-12H2.
What are the key properties of 1-[3-(4-chlorophenyl)propyl]piperidine?
1-[3-(4-chlorophenyl)propyl]piperidine has a molecular weight of 237.77 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)propyl]piperidine is sourced from PubChem (CID 139238986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).