1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride

C18H23ClN2S — CID 24761524

IUPAC1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride
SMILESCl.c1ccc(SCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N2S.ClH/c1-3-7-17(8-4-1)20-13-11-19(12-14-20)15-16-21-18-9-5-2-6-10-18;/h1-10H,11-16H2;1H
InChIKeyWOUBKNPNRGXOLS-UHFFFAOYSA-N
MW334.92 g/mol
LogP4.02
Rot. Bonds5

About 1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride

1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride (PubChem CID 24761524) has the molecular formula C18H23ClN2S and a molecular weight of 334.92 g/mol. Its IUPAC name is 1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride
PubChem CID24761524
Molecular FormulaC18H23ClN2S
Molecular Weight334.92 g/mol
Exact Mass334.13
IUPAC Name1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride
SMILESCl.c1ccc(SCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N2S.ClH/c1-3-7-17(8-4-1)20-13-11-19(12-14-20)15-16-21-18-9-5-2-6-10-18;/h1-10H,11-16H2;1H
InChIKeyWOUBKNPNRGXOLS-UHFFFAOYSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.92
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride?
The IUPAC name of 1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride (CID 24761524) is 1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride?
The canonical SMILES for 1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride is Cl.c1ccc(SCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride?
The InChIKey is WOUBKNPNRGXOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S.ClH/c1-3-7-17(8-4-1)20-13-11-19(12-14-20)15-16-21-18-9-5-2-6-10-18;/h1-10H,11-16H2;1H.
What are the key properties of 1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride?
1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride has a molecular weight of 334.92 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(2-phenylsulfanylethyl)piperazine;hydrochloride is sourced from PubChem (CID 24761524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).