1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride

C14H23ClN2S — CID 2993447

IUPAC1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride
SMILESCc1ccc(SCCN2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C14H22N2S.ClH/c1-13-3-5-14(6-4-13)17-12-11-16-9-7-15(2)8-10-16;/h3-6H,7-12H2,1-2H3;1H
InChIKeyCVEUPDMSWJLHQY-UHFFFAOYSA-N
MW286.87 g/mol
LogP2.76
Rot. Bonds4

About 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride

1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride (PubChem CID 2993447) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride
PubChem CID2993447
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride
SMILESCc1ccc(SCCN2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C14H22N2S.ClH/c1-13-3-5-14(6-4-13)17-12-11-16-9-7-15(2)8-10-16;/h3-6H,7-12H2,1-2H3;1H
InChIKeyCVEUPDMSWJLHQY-UHFFFAOYSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride?
The IUPAC name of 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride (CID 2993447) is 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride?
The canonical SMILES for 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride is Cc1ccc(SCCN2CCN(C)CC2)cc1.Cl.
What is the InChIKey of 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride?
The InChIKey is CVEUPDMSWJLHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S.ClH/c1-13-3-5-14(6-4-13)17-12-11-16-9-7-15(2)8-10-16;/h3-6H,7-12H2,1-2H3;1H.
What are the key properties of 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride?
1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride has a molecular weight of 286.87 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]piperazine;hydrochloride is sourced from PubChem (CID 2993447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).