1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

C19H19F3N2O — CID 99950649

IUPAC1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1ccccn1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)15-7-5-6-14(12-15)13-18(25)24-11-4-2-9-17(24)16-8-1-3-10-23-16/h1,3,5-8,10,12,17H,2,4,9,11,13H2/t17-/m1/s1
InChIKeyAVXUPEMFRQXUAQ-QGZVFWFLSA-N
MW348.37 g/mol
LogP4.40
Rot. Bonds3

About 1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 99950649) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID99950649
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1ccccn1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)15-7-5-6-14(12-15)13-18(25)24-11-4-2-9-17(24)16-8-1-3-10-23-16/h1,3,5-8,10,12,17H,2,4,9,11,13H2/t17-/m1/s1
InChIKeyAVXUPEMFRQXUAQ-QGZVFWFLSA-N
XLogP4.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110263943
2-pyridin-2-yl-1-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818185
2-pyridin-2-yl-1-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818184
1-[(2R)-2-[2-amino-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-1-yl]-2-phenylethanone
CID 95836834
1-[2-[1-(dimethylamino)ethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 67902362
2-(1H-imidazol-5-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethanone
CID 99988134
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 55095836
1-(2-pyridin-2-ylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 90649217
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120878181
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92615622

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 99950649) is 1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1ccccn1.
What is the InChIKey of 1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is AVXUPEMFRQXUAQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)15-7-5-6-14(12-15)13-18(25)24-11-4-2-9-17(24)16-8-1-3-10-23-16/h1,3,5-8,10,12,17H,2,4,9,11,13H2/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 348.37 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 99950649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).