4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride

C14H21Cl2N — CID 3059023

IUPAC4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(CCCC2CCNCC2)cc1
InChIInChI=1S/C14H20ClN.ClH/c15-14-6-4-12(5-7-14)2-1-3-13-8-10-16-11-9-13;/h4-7,13,16H,1-3,8-11H2;1H
InChIKeyYTQJQRAVZQLNIZ-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.08
Rot. Bonds4

About 4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride

4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride (PubChem CID 3059023) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride
PubChem CID3059023
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(CCCC2CCNCC2)cc1
InChIInChI=1S/C14H20ClN.ClH/c15-14-6-4-12(5-7-14)2-1-3-13-8-10-16-11-9-13;/h4-7,13,16H,1-3,8-11H2;1H
InChIKeyYTQJQRAVZQLNIZ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride?
The IUPAC name of 4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride (CID 3059023) is 4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride?
The canonical SMILES for 4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride is Cl.Clc1ccc(CCCC2CCNCC2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride?
The InChIKey is YTQJQRAVZQLNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN.ClH/c15-14-6-4-12(5-7-14)2-1-3-13-8-10-16-11-9-13;/h4-7,13,16H,1-3,8-11H2;1H.
What are the key properties of 4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride?
4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride has a molecular weight of 274.23 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)propyl]piperidine;hydrochloride is sourced from PubChem (CID 3059023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).