1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one

C13H15F2NO2 — CID 39357245

IUPAC1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one
SMILESO=C1CCN(CCOc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H15F2NO2/c14-10-1-2-13(12(15)9-10)18-8-7-16-5-3-11(17)4-6-16/h1-2,9H,3-8H2
InChIKeyPNIAHHBFBNTHPP-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one

1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one (PubChem CID 39357245) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one
PubChem CID39357245
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one
SMILESO=C1CCN(CCOc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H15F2NO2/c14-10-1-2-13(12(15)9-10)18-8-7-16-5-3-11(17)4-6-16/h1-2,9H,3-8H2
InChIKeyPNIAHHBFBNTHPP-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,4-difluorophenoxy)ethyl]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

Related Compounds

1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol
CID 39358873
1-[2-(2,4-difluorophenoxy)ethyl]-1,4-diazepane
CID 82088956
1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
CID 19794408
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 8771334
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine
CID 68945958
1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one
CID 39379363
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
CID 89282398
CID 89282398
1-[3-(3,4-difluorophenoxy)propyl]piperidin-4-one
CID 39367532
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22318837

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one (CID 39357245) is 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one is O=C1CCN(CCOc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one?
The InChIKey is PNIAHHBFBNTHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-10-1-2-13(12(15)9-10)18-8-7-16-5-3-11(17)4-6-16/h1-2,9H,3-8H2.
What are the key properties of 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one?
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one has a molecular weight of 255.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one is sourced from PubChem (CID 39357245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).