4-(3-methyl-2-methylsulfanylphenyl)piperidine

C13H19NS — CID 154450435

IUPAC4-(3-methyl-2-methylsulfanylphenyl)piperidine
SMILESCSc1c(C)cccc1C1CCNCC1
InChIInChI=1S/C13H19NS/c1-10-4-3-5-12(13(10)15-2)11-6-8-14-9-7-11/h3-5,11,14H,6-9H2,1-2H3
InChIKeyYMMOLIQJHKMJIF-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.18
Rot. Bonds2

About 4-(3-methyl-2-methylsulfanylphenyl)piperidine

4-(3-methyl-2-methylsulfanylphenyl)piperidine (PubChem CID 154450435) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-(3-methyl-2-methylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-methyl-2-methylsulfanylphenyl)piperidine
PubChem CID154450435
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name4-(3-methyl-2-methylsulfanylphenyl)piperidine
SMILESCSc1c(C)cccc1C1CCNCC1
InChIInChI=1S/C13H19NS/c1-10-4-3-5-12(13(10)15-2)11-6-8-14-9-7-11/h3-5,11,14H,6-9H2,1-2H3
InChIKeyYMMOLIQJHKMJIF-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-2-methylsulfanylphenyl)piperidine
CID 117324169
4-(3-methoxy-2-methylsulfanylphenyl)piperidine
CID 117347828
2-methyl-6-piperidin-4-ylbenzamide
CID 174505124
4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117418008
4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422234
4-(3-butyl-2-methylphenyl)piperidine
CID 130378004
(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
4-(2-fluorophenyl)piperidine;molecular hydrogen
CID 156796206
1-chloro-3-cyclohexyl-2-methylbenzene;4-(3-chloro-2-methylphenyl)piperidine;hydrochloride
CID 163597059
1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone
CID 57448055
2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol
CID 131145885
4-(2,3-difluorophenyl)azepane
CID 83262443

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-methylsulfanylphenyl)piperidine?
The IUPAC name of 4-(3-methyl-2-methylsulfanylphenyl)piperidine (CID 154450435) is 4-(3-methyl-2-methylsulfanylphenyl)piperidine.
What is the SMILES notation for 4-(3-methyl-2-methylsulfanylphenyl)piperidine?
The canonical SMILES for 4-(3-methyl-2-methylsulfanylphenyl)piperidine is CSc1c(C)cccc1C1CCNCC1.
What is the InChIKey of 4-(3-methyl-2-methylsulfanylphenyl)piperidine?
The InChIKey is YMMOLIQJHKMJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-4-3-5-12(13(10)15-2)11-6-8-14-9-7-11/h3-5,11,14H,6-9H2,1-2H3.
What are the key properties of 4-(3-methyl-2-methylsulfanylphenyl)piperidine?
4-(3-methyl-2-methylsulfanylphenyl)piperidine has a molecular weight of 221.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-methylsulfanylphenyl)piperidine is sourced from PubChem (CID 154450435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).