1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride

C16H18Cl2N2S — CID 53237438

IUPAC1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride
SMILESCl.Clc1ccc(Sc2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C16H17ClN2S.ClH/c17-13-5-7-14(8-6-13)20-16-4-2-1-3-15(16)19-11-9-18-10-12-19;/h1-8,18H,9-12H2;1H
InChIKeyXUMDENDMRHWGGR-UHFFFAOYSA-N
MW341.31 g/mol
LogP4.32
Rot. Bonds3

About 1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride

1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride (PubChem CID 53237438) has the molecular formula C16H18Cl2N2S and a molecular weight of 341.31 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride
PubChem CID53237438
Molecular FormulaC16H18Cl2N2S
Molecular Weight341.31 g/mol
Exact Mass340.06
IUPAC Name1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride
SMILESCl.Clc1ccc(Sc2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C16H17ClN2S.ClH/c17-13-5-7-14(8-6-13)20-16-4-2-1-3-15(16)19-11-9-18-10-12-19;/h1-8,18H,9-12H2;1H
InChIKeyXUMDENDMRHWGGR-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride (CID 53237438) is 1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride is Cl.Clc1ccc(Sc2ccccc2N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride?
The InChIKey is XUMDENDMRHWGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2S.ClH/c17-13-5-7-14(8-6-13)20-16-4-2-1-3-15(16)19-11-9-18-10-12-19;/h1-8,18H,9-12H2;1H.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride?
1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride has a molecular weight of 341.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanylphenyl]piperazine;hydrochloride is sourced from PubChem (CID 53237438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).