1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one

C13H15F3N2O2 — CID 126954982

IUPAC1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one
SMILESCN1CC(COc2cc(C(F)(F)F)ccn2)CCC1=O
InChIInChI=1S/C13H15F3N2O2/c1-18-7-9(2-3-12(18)19)8-20-11-6-10(4-5-17-11)13(14,15)16/h4-6,9H,2-3,7-8H2,1H3
InChIKeyBIOGDYSAIFTSJJ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.35
Rot. Bonds3

About 1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one

1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one (PubChem CID 126954982) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one
PubChem CID126954982
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one
SMILESCN1CC(COc2cc(C(F)(F)F)ccn2)CCC1=O
InChIInChI=1S/C13H15F3N2O2/c1-18-7-9(2-3-12(18)19)8-20-11-6-10(4-5-17-11)13(14,15)16/h4-6,9H,2-3,7-8H2,1H3
InChIKeyBIOGDYSAIFTSJJ-UHFFFAOYSA-N
XLogP2.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one
CID 126955061
2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine
CID 122251618
1-[2-[(3R)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 100739140
(2S)-N-[2-methoxy-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073828
(3R)-N-tert-butyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 100738596
(4R)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-4-[(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyimidazolidin-2-one
CID 155073765
2-(3,4-dimethoxyphenyl)-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251377
1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione
CID 76900169
1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one
CID 126954576
3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine
CID 66328310
4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
CID 175551989
ethyl 2-oxo-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]acetate
CID 122251292

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one?
The IUPAC name of 1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one (CID 126954982) is 1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one is CN1CC(COc2cc(C(F)(F)F)ccn2)CCC1=O.
What is the InChIKey of 1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one?
The InChIKey is BIOGDYSAIFTSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-18-7-9(2-3-12(18)19)8-20-11-6-10(4-5-17-11)13(14,15)16/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one?
1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one has a molecular weight of 288.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-2-one is sourced from PubChem (CID 126954982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).