[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone

C18H15F4NO2 — CID 84561785

IUPAC[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H15F4NO2/c19-14-3-1-11(9-16(14)21)18(24)23-7-5-12(6-8-23)25-13-2-4-15(20)17(22)10-13/h1-4,9-10,12H,5-8H2
InChIKeyIHEILFFESWPOBW-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.93
Rot. Bonds3

About [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone

[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 84561785) has the molecular formula C18H15F4NO2 and a molecular weight of 353.32 g/mol. Its IUPAC name is [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID84561785
Molecular FormulaC18H15F4NO2
Molecular Weight353.32 g/mol
Exact Mass353.10
IUPAC Name[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H15F4NO2/c19-14-3-1-11(9-16(14)21)18(24)23-7-5-12(6-8-23)25-13-2-4-15(20)17(22)10-13/h1-4,9-10,12H,5-8H2
InChIKeyIHEILFFESWPOBW-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone 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

[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
(3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone
CID 122246206
[4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 84563464
[4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone
CID 143176326
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride
CID 119374818
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 129358042
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 119105495
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone (CID 84561785) is [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccc(F)c(F)c2)CC1.
What is the InChIKey of [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is IHEILFFESWPOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO2/c19-14-3-1-11(9-16(14)21)18(24)23-7-5-12(6-8-23)25-13-2-4-15(20)17(22)10-13/h1-4,9-10,12H,5-8H2.
What are the key properties of [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone?
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 353.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 84561785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).