4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride

C14H20Cl3NS — CID 71727758

IUPAC4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride
SMILESCSCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H19Cl2NS.ClH/c1-18-9-12(10-4-6-17-7-5-10)11-2-3-13(15)14(16)8-11;/h2-3,8,10,12,17H,4-7,9H2,1H3;1H
InChIKeyVPFSCTXNTBOTFE-UHFFFAOYSA-N
MW340.75 g/mol
LogP4.86
Rot. Bonds4

About 4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride

4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride (PubChem CID 71727758) has the molecular formula C14H20Cl3NS and a molecular weight of 340.75 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride
PubChem CID71727758
Molecular FormulaC14H20Cl3NS
Molecular Weight340.75 g/mol
Exact Mass339.04
IUPAC Name4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride
SMILESCSCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H19Cl2NS.ClH/c1-18-9-12(10-4-6-17-7-5-10)11-2-3-13(15)14(16)8-11;/h2-3,8,10,12,17H,4-7,9H2,1H3;1H
InChIKeyVPFSCTXNTBOTFE-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.75
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;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 4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride (CID 71727758) is 4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride is CSCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride?
The InChIKey is VPFSCTXNTBOTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NS.ClH/c1-18-9-12(10-4-6-17-7-5-10)11-2-3-13(15)14(16)8-11;/h2-3,8,10,12,17H,4-7,9H2,1H3;1H.
What are the key properties of 4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride?
4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride has a molecular weight of 340.75 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride is sourced from PubChem (CID 71727758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).