1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one

C17H23F2NO — CID 114594131

IUPAC1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)C(C)N(C(C)C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C17H23F2NO/c1-10-7-11(2)12(3)20(9-10)13(4)17(21)15-6-5-14(18)8-16(15)19/h5-6,8,10-13H,7,9H2,1-4H3
InChIKeyKLBZAYRBXAZRIG-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.90
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one

1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one (PubChem CID 114594131) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
PubChem CID114594131
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)C(C)N(C(C)C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C17H23F2NO/c1-10-7-11(2)12(3)20(9-10)13(4)17(21)15-6-5-14(18)8-16(15)19/h5-6,8,10-13H,7,9H2,1-4H3
InChIKeyKLBZAYRBXAZRIG-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114594148
1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one
CID 43796403
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63763871
1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43794426
1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164974
1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 62037746
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-(2,4-difluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 62888795
1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
CID 114594058
(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591861
5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)benzoic acid
CID 114593911
1-(2,4-difluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 43797028

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one (CID 114594131) is 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one is CC1CC(C)C(C)N(C(C)C(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The InChIKey is KLBZAYRBXAZRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-10-7-11(2)12(3)20(9-10)13(4)17(21)15-6-5-14(18)8-16(15)19/h5-6,8,10-13H,7,9H2,1-4H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one has a molecular weight of 295.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 114594131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).