1-(2-phenylsulfanylphenyl)piperazine;hydrochloride

C16H19ClN2S — CID 53237435

IUPAC1-(2-phenylsulfanylphenyl)piperazine;hydrochloride
SMILESCl.c1ccc(Sc2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C16H18N2S.ClH/c1-2-6-14(7-3-1)19-16-9-5-4-8-15(16)18-12-10-17-11-13-18;/h1-9,17H,10-13H2;1H
InChIKeyRZJQKGRFQHFVDL-UHFFFAOYSA-N
MW306.86 g/mol
LogP3.67
Rot. Bonds3

About 1-(2-phenylsulfanylphenyl)piperazine;hydrochloride

1-(2-phenylsulfanylphenyl)piperazine;hydrochloride (PubChem CID 53237435) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 1-(2-phenylsulfanylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-phenylsulfanylphenyl)piperazine;hydrochloride
PubChem CID53237435
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name1-(2-phenylsulfanylphenyl)piperazine;hydrochloride
SMILESCl.c1ccc(Sc2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C16H18N2S.ClH/c1-2-6-14(7-3-1)19-16-9-5-4-8-15(16)18-12-10-17-11-13-18;/h1-9,17H,10-13H2;1H
InChIKeyRZJQKGRFQHFVDL-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(2-phenylsulfanylphenyl)piperazine;hydrochloride (CID 53237435) is 1-(2-phenylsulfanylphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2-phenylsulfanylphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2-phenylsulfanylphenyl)piperazine;hydrochloride is Cl.c1ccc(Sc2ccccc2N2CCNCC2)cc1.
What is the InChIKey of 1-(2-phenylsulfanylphenyl)piperazine;hydrochloride?
The InChIKey is RZJQKGRFQHFVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S.ClH/c1-2-6-14(7-3-1)19-16-9-5-4-8-15(16)18-12-10-17-11-13-18;/h1-9,17H,10-13H2;1H.
What are the key properties of 1-(2-phenylsulfanylphenyl)piperazine;hydrochloride?
1-(2-phenylsulfanylphenyl)piperazine;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 53237435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).