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

C13H19NS — CID 117317191

IUPAC3-(2-methyl-4-methylsulfanylphenyl)piperidine
SMILESCSc1ccc(C2CCCNC2)c(C)c1
InChIInChI=1S/C13H19NS/c1-10-8-12(15-2)5-6-13(10)11-4-3-7-14-9-11/h5-6,8,11,14H,3-4,7,9H2,1-2H3
InChIKeyLKBMINWWZKWCMG-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.18
Rot. Bonds2

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

3-(2-methyl-4-methylsulfanylphenyl)piperidine (PubChem CID 117317191) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-(2-methyl-4-methylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name3-(2-methyl-4-methylsulfanylphenyl)piperidine
PubChem CID117317191
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name3-(2-methyl-4-methylsulfanylphenyl)piperidine
SMILESCSc1ccc(C2CCCNC2)c(C)c1
InChIInChI=1S/C13H19NS/c1-10-8-12(15-2)5-6-13(10)11-4-3-7-14-9-11/h5-6,8,11,14H,3-4,7,9H2,1-2H3
InChIKeyLKBMINWWZKWCMG-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

3-(2,4-dimethylphenyl)piperidine
CID 10535662
ethane;3-(2-methylphenyl)piperidine
CID 144655647
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131169760
3-[4-(3-chlorophenyl)sulfanyl-2-methylphenyl]pyrrolidine
CID 143667215
2,6-dimethyl-3-piperidin-3-ylpyridine
CID 82603619
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79205715
4,5-dimethyl-2-piperidin-3-ylaniline
CID 166143865
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-methylsulfanylphenyl)piperidine?
The IUPAC name of 3-(2-methyl-4-methylsulfanylphenyl)piperidine (CID 117317191) is 3-(2-methyl-4-methylsulfanylphenyl)piperidine.
What is the SMILES notation for 3-(2-methyl-4-methylsulfanylphenyl)piperidine?
The canonical SMILES for 3-(2-methyl-4-methylsulfanylphenyl)piperidine is CSc1ccc(C2CCCNC2)c(C)c1.
What is the InChIKey of 3-(2-methyl-4-methylsulfanylphenyl)piperidine?
The InChIKey is LKBMINWWZKWCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-8-12(15-2)5-6-13(10)11-4-3-7-14-9-11/h5-6,8,11,14H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(2-methyl-4-methylsulfanylphenyl)piperidine?
3-(2-methyl-4-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 3-(2-methyl-4-methylsulfanylphenyl)piperidine is sourced from PubChem (CID 117317191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).