[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone

C12H13F3N2O2 — CID 71981899

IUPAC[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)11(19)4-1-7-17(8-11)10(18)9-2-5-16-6-3-9/h2-3,5-6,19H,1,4,7-8H2
InChIKeyBRDRVQNUOXHOBF-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.61
Rot. Bonds1

About [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone

[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 71981899) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID71981899
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)11(19)4-1-7-17(8-11)10(18)9-2-5-16-6-3-9/h2-3,5-6,19H,1,4,7-8H2
InChIKeyBRDRVQNUOXHOBF-UHFFFAOYSA-N
XLogP1.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 124872122
2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11689002
[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 126788593
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 119326792
3-[(3S)-3-hydroxy-3-(trifluoromethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 97019761
[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 99831311
3-[3-hydroxy-3-(trifluoromethyl)piperidine-1-carbonyl]isochromen-1-one
CID 136539492
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 103727414
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
CID 3157637

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 71981899) is [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is BRDRVQNUOXHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)11(19)4-1-7-17(8-11)10(18)9-2-5-16-6-3-9/h2-3,5-6,19H,1,4,7-8H2.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 274.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 71981899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).