2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine

C12H15F3N2S — CID 110187081

IUPAC2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine
SMILESCN1CCC(Sc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N2S/c1-17-7-5-9(6-8-17)18-11-4-2-3-10(16-11)12(13,14)15/h2-4,9H,5-8H2,1H3
InChIKeyUKDVRNMMCZJMHV-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.29
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine

2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine (PubChem CID 110187081) has the molecular formula C12H15F3N2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine
PubChem CID110187081
Molecular FormulaC12H15F3N2S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine
SMILESCN1CCC(Sc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N2S/c1-17-7-5-9(6-8-17)18-11-4-2-3-10(16-11)12(13,14)15/h2-4,9H,5-8H2,1H3
InChIKeyUKDVRNMMCZJMHV-UHFFFAOYSA-N
XLogP3.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpiperidin-4-yl)sulfanylpyrimidine
CID 18723016
1-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]sulfanylpiperidine
CID 142009434
2-(1-methylpiperidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 138591006
(2R,3R,4S,5S)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol
CID 171558503
1-methyl-4-(3-methylphenyl)sulfanylpiperidine
CID 142206872
1-(1-methylpiperidin-4-yl)sulfanylisoquinoline
CID 10729940
3-ethylsulfanyl-1-[6-(trifluoromethyl)-2-pyridinyl]azepane
CID 133311270
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
4-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]aniline
CID 5082960
2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 106838452
ethane;2-methyl-6-(trifluoromethyl)pyridine
CID 144746626

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine (CID 110187081) is 2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine is CN1CCC(Sc2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine?
The InChIKey is UKDVRNMMCZJMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2S/c1-17-7-5-9(6-8-17)18-11-4-2-3-10(16-11)12(13,14)15/h2-4,9H,5-8H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine?
2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine has a molecular weight of 276.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)sulfanyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 110187081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).