4-[3-(3-methylsulfanylphenyl)propyl]piperidine

C15H23NS — CID 170341997

IUPAC4-[3-(3-methylsulfanylphenyl)propyl]piperidine
SMILESCSc1cccc(CCCC2CCNCC2)c1
InChIInChI=1S/C15H23NS/c1-17-15-7-3-6-14(12-15)5-2-4-13-8-10-16-11-9-13/h3,6-7,12-13,16H,2,4-5,8-11H2,1H3
InChIKeyZCPNEMOKWCWLHI-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.73
Rot. Bonds5

About 4-[3-(3-methylsulfanylphenyl)propyl]piperidine

4-[3-(3-methylsulfanylphenyl)propyl]piperidine (PubChem CID 170341997) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 4-[3-(3-methylsulfanylphenyl)propyl]piperidine.

Molecular Properties

Compound Name4-[3-(3-methylsulfanylphenyl)propyl]piperidine
PubChem CID170341997
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name4-[3-(3-methylsulfanylphenyl)propyl]piperidine
SMILESCSc1cccc(CCCC2CCNCC2)c1
InChIInChI=1S/C15H23NS/c1-17-15-7-3-6-14(12-15)5-2-4-13-8-10-16-11-9-13/h3,6-7,12-13,16H,2,4-5,8-11H2,1H3
InChIKeyZCPNEMOKWCWLHI-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(3,4-difluorophenyl)propyl]piperidine
CID 18187745
4-[3-(3,4-dimethylphenyl)propyl]piperidine
CID 82289413
4-[3-(3,5-difluorophenyl)propyl]piperidine
CID 21180614
4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride
CID 3059025
1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
4-[3-(2-methylphenyl)propyl]piperidine
CID 54301052
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949
N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-yl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99947871
4-[3-(7-methylnaphthalen-1-yl)propyl]piperidine
CID 58227815
1-ethyl-3-methylsulfanylbenzene
CID 14944133
1-(chloromethyl)-3-(3-cyclobutylpropyl)benzene
CID 166650675
4-[3-(2,4-difluorophenyl)propyl]piperidine
CID 21180653

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylsulfanylphenyl)propyl]piperidine?
The IUPAC name of 4-[3-(3-methylsulfanylphenyl)propyl]piperidine (CID 170341997) is 4-[3-(3-methylsulfanylphenyl)propyl]piperidine.
What is the SMILES notation for 4-[3-(3-methylsulfanylphenyl)propyl]piperidine?
The canonical SMILES for 4-[3-(3-methylsulfanylphenyl)propyl]piperidine is CSc1cccc(CCCC2CCNCC2)c1.
What is the InChIKey of 4-[3-(3-methylsulfanylphenyl)propyl]piperidine?
The InChIKey is ZCPNEMOKWCWLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-17-15-7-3-6-14(12-15)5-2-4-13-8-10-16-11-9-13/h3,6-7,12-13,16H,2,4-5,8-11H2,1H3.
What are the key properties of 4-[3-(3-methylsulfanylphenyl)propyl]piperidine?
4-[3-(3-methylsulfanylphenyl)propyl]piperidine has a molecular weight of 249.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylsulfanylphenyl)propyl]piperidine is sourced from PubChem (CID 170341997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).