3-methyl-4-(4-methylsulfanylphenyl)piperidine

C13H19NS — CID 79320888

IUPAC3-methyl-4-(4-methylsulfanylphenyl)piperidine
SMILESCSc1ccc(C2CCNCC2C)cc1
InChIInChI=1S/C13H19NS/c1-10-9-14-8-7-13(10)11-3-5-12(15-2)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyAXHBDNMHJHYEDE-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.12
Rot. Bonds2

About 3-methyl-4-(4-methylsulfanylphenyl)piperidine

3-methyl-4-(4-methylsulfanylphenyl)piperidine (PubChem CID 79320888) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-methyl-4-(4-methylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name3-methyl-4-(4-methylsulfanylphenyl)piperidine
PubChem CID79320888
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name3-methyl-4-(4-methylsulfanylphenyl)piperidine
SMILESCSc1ccc(C2CCNCC2C)cc1
InChIInChI=1S/C13H19NS/c1-10-9-14-8-7-13(10)11-3-5-12(15-2)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyAXHBDNMHJHYEDE-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylsulfanylphenyl)piperidine?
The IUPAC name of 3-methyl-4-(4-methylsulfanylphenyl)piperidine (CID 79320888) is 3-methyl-4-(4-methylsulfanylphenyl)piperidine.
What is the SMILES notation for 3-methyl-4-(4-methylsulfanylphenyl)piperidine?
The canonical SMILES for 3-methyl-4-(4-methylsulfanylphenyl)piperidine is CSc1ccc(C2CCNCC2C)cc1.
What is the InChIKey of 3-methyl-4-(4-methylsulfanylphenyl)piperidine?
The InChIKey is AXHBDNMHJHYEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-9-14-8-7-13(10)11-3-5-12(15-2)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 3-methyl-4-(4-methylsulfanylphenyl)piperidine?
3-methyl-4-(4-methylsulfanylphenyl)piperidine has a molecular weight of 221.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylsulfanylphenyl)piperidine is sourced from PubChem (CID 79320888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).