1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one

C19H19F3N2O2 — CID 157139936

IUPAC1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(-c2ccc(CO)c(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)18-15(12-25)8-9-16(23-18)14-6-4-13(5-7-14)11-24-10-2-1-3-17(24)26/h4-9,25H,1-3,10-12H2
InChIKeyCEDVBKJPQWZNNF-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.77
Rot. Bonds4

About 1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one

1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one (PubChem CID 157139936) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
PubChem CID157139936
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(-c2ccc(CO)c(C(F)(F)F)n2)cc1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)18-15(12-25)8-9-16(23-18)14-6-4-13(5-7-14)11-24-10-2-1-3-17(24)26/h4-9,25H,1-3,10-12H2
InChIKeyCEDVBKJPQWZNNF-UHFFFAOYSA-N
XLogP3.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379727
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide
CID 162379826
3-(Dibutylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]propan-1-ol
CID 24198839
[2-Cyclopropyl-6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-methanol
CID 21935842
[2-Methyl-6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-methanol
CID 21935862
[2-Dimethylaminomethyl-6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-methanol
CID 21935887
[4-(4-Fluorophenyl)-5-(piperidin-1-ylmethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005170
1-[4-(4-Fluorophenyl)-3-(hydroxymethyl)-2-propan-2-yl-5,7-dihydropyrido[3,2-d][2]benzazepin-6-yl]ethanone
CID 58992742
[2-(2-Phenylethyl)-6-(trifluoromethyl)pyridin-3-yl]methanol
CID 59598309
1-[4-[6-[2-[2-Fluoro-4-(hydroxymethyl)phenyl]ethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 67030308
7-[5-(hydroxymethyl)-2-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,4-c]quinolin-4-one
CID 141471291
4-(2,6-Difluorophenyl)-4-[6-(2-ethenyl-4-fluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]butanamide
CID 141971311

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
The IUPAC name of 1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one (CID 157139936) is 1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one is O=C1CCCCN1Cc1ccc(-c2ccc(CO)c(C(F)(F)F)n2)cc1.
What is the InChIKey of 1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
The InChIKey is CEDVBKJPQWZNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)18-15(12-25)8-9-16(23-18)14-6-4-13(5-7-14)11-24-10-2-1-3-17(24)26/h4-9,25H,1-3,10-12H2.
What are the key properties of 1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one has a molecular weight of 364.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 157139936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).