1-[3-(difluoromethoxy)phenyl]piperidin-4-one

C12H13F2NO2 — CID 121456125

IUPAC1-[3-(difluoromethoxy)phenyl]piperidin-4-one
SMILESO=C1CCN(c2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C12H13F2NO2/c13-12(14)17-11-3-1-2-9(8-11)15-6-4-10(16)5-7-15/h1-3,8,12H,4-7H2
InChIKeyPWTJTCFHFMGKKY-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.46
Rot. Bonds3

About 1-[3-(difluoromethoxy)phenyl]piperidin-4-one

1-[3-(difluoromethoxy)phenyl]piperidin-4-one (PubChem CID 121456125) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]piperidin-4-one
PubChem CID121456125
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-[3-(difluoromethoxy)phenyl]piperidin-4-one
SMILESO=C1CCN(c2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C12H13F2NO2/c13-12(14)17-11-3-1-2-9(8-11)15-6-4-10(16)5-7-15/h1-3,8,12H,4-7H2
InChIKeyPWTJTCFHFMGKKY-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(difluoromethoxy)phenyl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]piperidin-4-one?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]piperidin-4-one (CID 121456125) is 1-[3-(difluoromethoxy)phenyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]piperidin-4-one?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]piperidin-4-one is O=C1CCN(c2cccc(OC(F)F)c2)CC1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]piperidin-4-one?
The InChIKey is PWTJTCFHFMGKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-12(14)17-11-3-1-2-9(8-11)15-6-4-10(16)5-7-15/h1-3,8,12H,4-7H2.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]piperidin-4-one?
1-[3-(difluoromethoxy)phenyl]piperidin-4-one has a molecular weight of 241.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]piperidin-4-one is sourced from PubChem (CID 121456125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).