1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one

C13H15F2NO2 — CID 54975439

IUPAC1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one
SMILESCC1CC(=O)CCN1c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2NO2/c1-9-8-10(17)6-7-16(9)11-4-2-3-5-12(11)18-13(14)15/h2-5,9,13H,6-8H2,1H3
InChIKeyDWFQLAFUIXHWAZ-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.85
Rot. Bonds3

About 1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one

1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one (PubChem CID 54975439) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one
PubChem CID54975439
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one
SMILESCC1CC(=O)CCN1c1ccccc1OC(F)F
InChIInChI=1S/C13H15F2NO2/c1-9-8-10(17)6-7-16(9)11-4-2-3-5-12(11)18-13(14)15/h2-5,9,13H,6-8H2,1H3
InChIKeyDWFQLAFUIXHWAZ-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
CID 54975575
2-[2-(difluoromethoxy)phenyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916181
1-[2-(difluoromethoxy)phenyl]-2-ethynylazetidine
CID 166721634
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396570
1-[2-(difluoromethoxy)phenyl]imidazolidin-2-one
CID 115370453
5-butan-2-yl-1-[2-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938638
S-[1-[2-(difluoromethoxy)phenyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706839
4-(chloromethyl)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-2-one
CID 168509083
2-methyl-1-pyridin-4-ylpiperidin-4-one
CID 53403380
N-[1-[2-(difluoromethoxy)phenyl]-2-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 75371935
1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-amine
CID 43315583
(3S,8aR)-2-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165426750

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one (CID 54975439) is 1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one is CC1CC(=O)CCN1c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one?
The InChIKey is DWFQLAFUIXHWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-9-8-10(17)6-7-16(9)11-4-2-3-5-12(11)18-13(14)15/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one?
1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one has a molecular weight of 255.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-2-methylpiperidin-4-one is sourced from PubChem (CID 54975439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).