[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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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).