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

C12H15F3N2 — CID 125486842

IUPAC2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
SMILESC[C@@H]1CCCCN1c1ncccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2/c1-9-5-2-3-8-17(9)11-10(12(13,14)15)6-4-7-16-11/h4,6-7,9H,2-3,5,8H2,1H3/t9-/m1/s1
InChIKeyMHOABBOFFABBLA-SECBINFHSA-N
MW244.26 g/mol
LogP3.48
Rot. Bonds1

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

2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine (PubChem CID 125486842) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
PubChem CID125486842
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
SMILESC[C@@H]1CCCCN1c1ncccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2/c1-9-5-2-3-8-17(9)11-10(12(13,14)15)6-4-7-16-11/h4,6-7,9H,2-3,5,8H2,1H3/t9-/m1/s1
InChIKeyMHOABBOFFABBLA-SECBINFHSA-N
XLogP3.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 28873916
3-bromo-2-(2-methylpyrrolidin-1-yl)pyridine
CID 61373542
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
[2-(2-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 3192324
2-(2-thiophen-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 55635999
2-[4-fluoro-3-(iodomethyl)phenyl]-4-(2-methylpiperidin-1-yl)-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine
CID 89380344
N-methyl-4-[4-(2-methylpyrrolidin-1-yl)-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-yl]aniline
CID 142990961
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
3-[(2S)-2-methylpiperidin-1-yl]pyrazin-2-amine
CID 124676124
2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 175941093
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
2-(4-chloro-2-fluorophenyl)-6-(2-methylpyrrolidin-1-yl)-4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,4-dihydro-1,3,5-triazine
CID 142991035

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine (CID 125486842) is 2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine is C[C@@H]1CCCCN1c1ncccc1C(F)(F)F.
What is the InChIKey of 2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine?
The InChIKey is MHOABBOFFABBLA-SECBINFHSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-9-5-2-3-8-17(9)11-10(12(13,14)15)6-4-7-16-11/h4,6-7,9H,2-3,5,8H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine?
2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine has a molecular weight of 244.26 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 125486842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).