1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one

C20H21F3N2O2 — CID 157139937

IUPAC1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCCC3=O)cc2)c1CO
InChIInChI=1S/C20H21F3N2O2/c1-13-10-17(20(21,22)23)24-19(16(13)12-26)15-7-5-14(6-8-15)11-25-9-3-2-4-18(25)27/h5-8,10,26H,2-4,9,11-12H2,1H3
InChIKeyFHVWMLUULYMGEG-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.08
Rot. Bonds4

About 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one

1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one (PubChem CID 157139937) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
PubChem CID157139937
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
SMILESCc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCCC3=O)cc2)c1CO
InChIInChI=1S/C20H21F3N2O2/c1-13-10-17(20(21,22)23)24-19(16(13)12-26)15-7-5-14(6-8-15)11-25-9-3-2-4-18(25)27/h5-8,10,26H,2-4,9,11-12H2,1H3
InChIKeyFHVWMLUULYMGEG-UHFFFAOYSA-N
XLogP4.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one with MolForge

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Related Compounds

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-Methyl-6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-methanol
CID 21935862
[2-Dimethylaminomethyl-6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-methanol
CID 21935887
[5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-3-yl]methanol
CID 22004933
[4-(4-Fluorophenyl)-5-(piperidin-1-ylmethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005170
[2-Methyl-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-methanol
CID 22250820
[5-Pent-1-enyl-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 54270579
1-[4-(4-Fluorophenyl)-3-(hydroxymethyl)-2-propan-2-yl-5,7-dihydropyrido[3,2-d][2]benzazepin-6-yl]ethanone
CID 58992742
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-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
The IUPAC name of 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one (CID 157139937) is 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one is Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCCC3=O)cc2)c1CO.
What is the InChIKey of 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
The InChIKey is FHVWMLUULYMGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-13-10-17(20(21,22)23)24-19(16(13)12-26)15-7-5-14(6-8-15)11-25-9-3-2-4-18(25)27/h5-8,10,26H,2-4,9,11-12H2,1H3.
What are the key properties of 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one?
1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one has a molecular weight of 378.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 157139937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).