2,6-bis(3-fluorophenyl)piperidin-4-one

C17H15F2NO — CID 91540482

IUPAC2,6-bis(3-fluorophenyl)piperidin-4-one
SMILESO=C1CC(c2cccc(F)c2)NC(c2cccc(F)c2)C1
InChIInChI=1S/C17H15F2NO/c18-13-5-1-3-11(7-13)16-9-15(21)10-17(20-16)12-4-2-6-14(19)8-12/h1-8,16-17,20H,9-10H2
InChIKeyXQTKJHOGQZCRIV-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.70
Rot. Bonds2

About 2,6-bis(3-fluorophenyl)piperidin-4-one

2,6-bis(3-fluorophenyl)piperidin-4-one (PubChem CID 91540482) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is 2,6-bis(3-fluorophenyl)piperidin-4-one.

Molecular Properties

Compound Name2,6-bis(3-fluorophenyl)piperidin-4-one
PubChem CID91540482
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name2,6-bis(3-fluorophenyl)piperidin-4-one
SMILESO=C1CC(c2cccc(F)c2)NC(c2cccc(F)c2)C1
InChIInChI=1S/C17H15F2NO/c18-13-5-1-3-11(7-13)16-9-15(21)10-17(20-16)12-4-2-6-14(19)8-12/h1-8,16-17,20H,9-10H2
InChIKeyXQTKJHOGQZCRIV-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
CID 95437342
(4R)-4-(3-fluorophenyl)-1,3-oxazinan-2-one
CID 130642910
(2R)-2-(3-fluorophenyl)cyclobutan-1-one
CID 129416002
(6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one
CID 70165727
(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide
CID 66217456
(2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine
CID 138487672
methyl 4-(3-fluorophenyl)azetidine-2-carboxylate
CID 105462660
(1R,5S)-2,4-bis(3-fluorophenyl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one
CID 10618184
3-(3-fluorophenyl)-2-methylcyclobutan-1-one
CID 81416508
3-cyclopropyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83242288
(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 67330070

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-fluorophenyl)piperidin-4-one?
The IUPAC name of 2,6-bis(3-fluorophenyl)piperidin-4-one (CID 91540482) is 2,6-bis(3-fluorophenyl)piperidin-4-one.
What is the SMILES notation for 2,6-bis(3-fluorophenyl)piperidin-4-one?
The canonical SMILES for 2,6-bis(3-fluorophenyl)piperidin-4-one is O=C1CC(c2cccc(F)c2)NC(c2cccc(F)c2)C1.
What is the InChIKey of 2,6-bis(3-fluorophenyl)piperidin-4-one?
The InChIKey is XQTKJHOGQZCRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c18-13-5-1-3-11(7-13)16-9-15(21)10-17(20-16)12-4-2-6-14(19)8-12/h1-8,16-17,20H,9-10H2.
What are the key properties of 2,6-bis(3-fluorophenyl)piperidin-4-one?
2,6-bis(3-fluorophenyl)piperidin-4-one has a molecular weight of 287.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-fluorophenyl)piperidin-4-one is sourced from PubChem (CID 91540482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).