1-[(3,5-difluorophenyl)methyl]piperidin-4-one

C12H13F2NO — CID 23218606

IUPAC1-[(3,5-difluorophenyl)methyl]piperidin-4-one
SMILESO=C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C12H13F2NO/c13-10-5-9(6-11(14)7-10)8-15-3-1-12(16)2-4-15/h5-7H,1-4,8H2
InChIKeyHBFUETMWYMOUES-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.13
Rot. Bonds2

About 1-[(3,5-difluorophenyl)methyl]piperidin-4-one

1-[(3,5-difluorophenyl)methyl]piperidin-4-one (PubChem CID 23218606) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]piperidin-4-one
PubChem CID23218606
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-[(3,5-difluorophenyl)methyl]piperidin-4-one
SMILESO=C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C12H13F2NO/c13-10-5-9(6-11(14)7-10)8-15-3-1-12(16)2-4-15/h5-7H,1-4,8H2
InChIKeyHBFUETMWYMOUES-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-piperidone
CID 19220
N-Phenethyl-4-piperidinone
CID 96437
1-Benzyl-3-methyl-4-piperidone
CID 560965
(3E,5E)-3,5-bis[(2-fluorophenyl)methylidene]-1-methylpiperidin-4-one
CID 2327494
1-Benzyl-3,5-dimethylpiperidin-4-one
CID 22278920
3-Methyl-1-(2-phenylethyl)piperidin-4-one
CID 580922
1-Benzylpiperidine-2,4-dione
CID 22495541
3-Piperidinone, 1-(phenylmethyl)-
CID 96650
(3e,5e)-3,5-Bis(2-fluorobenzylidene)-1-ethyl-piperidin-4-one
CID 20416687
(3E,5E)-3,5-bis[(3,4-difluorophenyl)methylidene]-1-methylpiperidin-4-one
CID 23947491
N,2,2-Trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
CID 121446878
(3E,5E)-1-ethyl-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one
CID 15507192

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]piperidin-4-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]piperidin-4-one (CID 23218606) is 1-[(3,5-difluorophenyl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]piperidin-4-one is O=C1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]piperidin-4-one?
The InChIKey is HBFUETMWYMOUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-10-5-9(6-11(14)7-10)8-15-3-1-12(16)2-4-15/h5-7H,1-4,8H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]piperidin-4-one?
1-[(3,5-difluorophenyl)methyl]piperidin-4-one has a molecular weight of 225.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]piperidin-4-one is sourced from PubChem (CID 23218606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).