1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine

C15H23NS — CID 145040264

IUPAC1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine
SMILESCSC(Cc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C15H23NS/c1-16-10-8-14(9-11-16)15(17-2)12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3
InChIKeyIMALYXAOSNUITA-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.30
Rot. Bonds4

About 1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine

1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine (PubChem CID 145040264) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine
PubChem CID145040264
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine
SMILESCSC(Cc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C15H23NS/c1-16-10-8-14(9-11-16)15(17-2)12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3
InChIKeyIMALYXAOSNUITA-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine 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-(1-methylsulfanyl-2-phenylethyl)piperidine?
The IUPAC name of 1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine (CID 145040264) is 1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine.
What is the SMILES notation for 1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine?
The canonical SMILES for 1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine is CSC(Cc1ccccc1)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine?
The InChIKey is IMALYXAOSNUITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-16-10-8-14(9-11-16)15(17-2)12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine?
1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine has a molecular weight of 249.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine is sourced from PubChem (CID 145040264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).