4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride

C14H20Cl3N — CID 3059025

IUPAC4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(CCCC2CCNCC2)cc1Cl
InChIInChI=1S/C14H19Cl2N.ClH/c15-13-5-4-12(10-14(13)16)3-1-2-11-6-8-17-9-7-11;/h4-5,10-11,17H,1-3,6-9H2;1H
InChIKeyJTMHUBPTTSLQLD-UHFFFAOYSA-N
MW308.68 g/mol
LogP4.74
Rot. Bonds4

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

4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride (PubChem CID 3059025) has the molecular formula C14H20Cl3N and a molecular weight of 308.68 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride
PubChem CID3059025
Molecular FormulaC14H20Cl3N
Molecular Weight308.68 g/mol
Exact Mass307.07
IUPAC Name4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(CCCC2CCNCC2)cc1Cl
InChIInChI=1S/C14H19Cl2N.ClH/c15-13-5-4-12(10-14(13)16)3-1-2-11-6-8-17-9-7-11;/h4-5,10-11,17H,1-3,6-9H2;1H
InChIKeyJTMHUBPTTSLQLD-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine
CID 147775404
4-[3-(3,4-difluorophenyl)propyl]piperidine
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4-[3-(3,4-dimethylphenyl)propyl]piperidine
CID 82289413
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
1,2-dichloro-4-(2-cyclopentylethyl)benzene
CID 67484216
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388493
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine
CID 141152899
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide
CID 119388494
4-[3-(3,5-difluorophenyl)propyl]piperidine
CID 21180614
4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine
CID 116925686
N-(cyclopropylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624329

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride?
The IUPAC name of 4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride (CID 3059025) is 4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride?
The canonical SMILES for 4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride is Cl.Clc1ccc(CCCC2CCNCC2)cc1Cl.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride?
The InChIKey is JTMHUBPTTSLQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N.ClH/c15-13-5-4-12(10-14(13)16)3-1-2-11-6-8-17-9-7-11;/h4-5,10-11,17H,1-3,6-9H2;1H.
What are the key properties of 4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride?
4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride has a molecular weight of 308.68 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride is sourced from PubChem (CID 3059025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).