3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine

C13H17F3N2 — CID 171690143

IUPAC3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine
SMILESCC1CCCCN1Cc1cccnc1C(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-10-5-2-3-8-18(10)9-11-6-4-7-17-12(11)13(14,15)16/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyGKICDHSEWFRZGQ-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.47
Rot. Bonds2

About 3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine

3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine (PubChem CID 171690143) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine
PubChem CID171690143
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine
SMILESCC1CCCCN1Cc1cccnc1C(F)(F)F
InChIInChI=1S/C13H17F3N2/c1-10-5-2-3-8-18(10)9-11-6-4-7-17-12(11)13(14,15)16/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyGKICDHSEWFRZGQ-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]azepane
CID 171690146
2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 82187666
3-propyl-2-(trifluoromethyl)pyridine
CID 19881646
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 125486842
(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
CID 870764
3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51593014
1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 171690633
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylprop-2-enamide
CID 103598117
2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 112553673
4-bromo-3-[(2-methylpiperidin-1-yl)methyl]benzoic acid
CID 165458505
[3-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895699

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine (CID 171690143) is 3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine is CC1CCCCN1Cc1cccnc1C(F)(F)F.
What is the InChIKey of 3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine?
The InChIKey is GKICDHSEWFRZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-10-5-2-3-8-18(10)9-11-6-4-7-17-12(11)13(14,15)16/h4,6-7,10H,2-3,5,8-9H2,1H3.
What are the key properties of 3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine?
3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine has a molecular weight of 258.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 171690143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).