1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride

C19H25ClN2S — CID 53238126

IUPAC1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride
SMILESCc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C19H24N2S.ClH/c1-14-7-8-17(16(3)13-14)22-18-6-4-5-15(2)19(18)21-11-9-20-10-12-21;/h4-8,13,20H,9-12H2,1-3H3;1H
InChIKeySCMJERWDLBFTKH-UHFFFAOYSA-N
MW348.94 g/mol
LogP4.59
Rot. Bonds3

About 1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride

1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride (PubChem CID 53238126) has the molecular formula C19H25ClN2S and a molecular weight of 348.94 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride
PubChem CID53238126
Molecular FormulaC19H25ClN2S
Molecular Weight348.94 g/mol
Exact Mass348.14
IUPAC Name1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride
SMILESCc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C19H24N2S.ClH/c1-14-7-8-17(16(3)13-14)22-18-6-4-5-15(2)19(18)21-11-9-20-10-12-21;/h4-8,13,20H,9-12H2,1-3H3;1H
InChIKeySCMJERWDLBFTKH-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.94
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride (CID 53238126) is 1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride is Cc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1.Cl.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride?
The InChIKey is SCMJERWDLBFTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S.ClH/c1-14-7-8-17(16(3)13-14)22-18-6-4-5-15(2)19(18)21-11-9-20-10-12-21;/h4-8,13,20H,9-12H2,1-3H3;1H.
What are the key properties of 1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride?
1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride has a molecular weight of 348.94 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)sulfanyl-6-methylphenyl]piperazine;hydrochloride is sourced from PubChem (CID 53238126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).