2-[(3-methylsulfanylphenyl)methyl]piperidine

C13H19NS — CID 117317206

IUPAC2-[(3-methylsulfanylphenyl)methyl]piperidine
SMILESCSc1cccc(CC2CCCCN2)c1
InChIInChI=1S/C13H19NS/c1-15-13-7-4-5-11(10-13)9-12-6-2-3-8-14-12/h4-5,7,10,12,14H,2-3,6,8-9H2,1H3
InChIKeyHTVHYVKHYSGUQL-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.09
Rot. Bonds3

About 2-[(3-methylsulfanylphenyl)methyl]piperidine

2-[(3-methylsulfanylphenyl)methyl]piperidine (PubChem CID 117317206) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-[(3-methylsulfanylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-methylsulfanylphenyl)methyl]piperidine
PubChem CID117317206
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-[(3-methylsulfanylphenyl)methyl]piperidine
SMILESCSc1cccc(CC2CCCCN2)c1
InChIInChI=1S/C13H19NS/c1-15-13-7-4-5-11(10-13)9-12-6-2-3-8-14-12/h4-5,7,10,12,14H,2-3,6,8-9H2,1H3
InChIKeyHTVHYVKHYSGUQL-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(2-chloro-5-methylsulfanylphenyl)methyl]piperidine
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1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
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5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine
CID 143624917
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
N-[3-(azepan-2-ylmethyl)phenyl]acetamide
CID 70141371
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
CID 117359786
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
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2-[(3,5-difluorophenyl)methyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfanylphenyl)methyl]piperidine?
The IUPAC name of 2-[(3-methylsulfanylphenyl)methyl]piperidine (CID 117317206) is 2-[(3-methylsulfanylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-methylsulfanylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-methylsulfanylphenyl)methyl]piperidine is CSc1cccc(CC2CCCCN2)c1.
What is the InChIKey of 2-[(3-methylsulfanylphenyl)methyl]piperidine?
The InChIKey is HTVHYVKHYSGUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-15-13-7-4-5-11(10-13)9-12-6-2-3-8-14-12/h4-5,7,10,12,14H,2-3,6,8-9H2,1H3.
What are the key properties of 2-[(3-methylsulfanylphenyl)methyl]piperidine?
2-[(3-methylsulfanylphenyl)methyl]piperidine has a molecular weight of 221.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfanylphenyl)methyl]piperidine is sourced from PubChem (CID 117317206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).