1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride

C13H21Cl3N2 — CID 52984150

IUPAC1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1cccc(CCCN2CCNCC2)c1
InChIInChI=1S/C13H19ClN2.2ClH/c14-13-5-1-3-12(11-13)4-2-8-16-9-6-15-7-10-16;;/h1,3,5,11,15H,2,4,6-10H2;2*1H
InChIKeyYRHPWMUAECGTBW-UHFFFAOYSA-N
MW311.68 g/mol
LogP3.02
Rot. Bonds4

About 1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride

1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride (PubChem CID 52984150) has the molecular formula C13H21Cl3N2 and a molecular weight of 311.68 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
PubChem CID52984150
Molecular FormulaC13H21Cl3N2
Molecular Weight311.68 g/mol
Exact Mass310.08
IUPAC Name1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1cccc(CCCN2CCNCC2)c1
InChIInChI=1S/C13H19ClN2.2ClH/c14-13-5-1-3-12(11-13)4-2-8-16-9-6-15-7-10-16;;/h1,3,5,11,15H,2,4,6-10H2;2*1H
InChIKeyYRHPWMUAECGTBW-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
1-[3-(3,5-dichlorophenyl)propyl]-1,4-diazepane
CID 83924808
1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108901401
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391216
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413921
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110413923

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride (CID 52984150) is 1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride is Cl.Cl.Clc1cccc(CCCN2CCNCC2)c1.
What is the InChIKey of 1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride?
The InChIKey is YRHPWMUAECGTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2.2ClH/c14-13-5-1-3-12(11-13)4-2-8-16-9-6-15-7-10-16;;/h1,3,5,11,15H,2,4,6-10H2;2*1H.
What are the key properties of 1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride?
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride has a molecular weight of 311.68 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 52984150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).