1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one

C15H19F2NO — CID 79045460

IUPAC1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C15H19F2NO/c1-15(2,18-8-4-3-5-9-18)14(19)12-7-6-11(16)10-13(12)17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyXUTCMQDLOSXXIO-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.41
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one

1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one (PubChem CID 79045460) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one
PubChem CID79045460
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C15H19F2NO/c1-15(2,18-8-4-3-5-9-18)14(19)12-7-6-11(16)10-13(12)17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyXUTCMQDLOSXXIO-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79045728
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79065201
2-(azepan-1-yl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106880847
3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid
CID 64527221
2-(azepan-1-yl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one
CID 79704809
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
2-(azepan-1-yl)-1-(3-bromo-2-fluorophenyl)-2-methylpropan-1-one
CID 106644857
1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 105394302
2-amino-1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 116590314
1-(5-fluoro-2-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069554
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79055855
1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 97356006

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one (CID 79045460) is 1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one is CC(C)(C(=O)c1ccc(F)cc1F)N1CCCCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The InChIKey is XUTCMQDLOSXXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-15(2,18-8-4-3-5-9-18)14(19)12-7-6-11(16)10-13(12)17/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one?
1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one has a molecular weight of 267.32 g/mol, XLogP of 3.41, 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-methyl-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 79045460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).