1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one

C16H21F2NO — CID 107515011

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCc1ccc(C(=O)C(C)(C)C2CCCNC2)c(F)c1F
InChIInChI=1S/C16H21F2NO/c1-10-6-7-12(14(18)13(10)17)15(20)16(2,3)11-5-4-8-19-9-11/h6-7,11,19H,4-5,8-9H2,1-3H3
InChIKeyBUJOZUAHFOYGKI-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.48
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one

1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one (PubChem CID 107515011) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
PubChem CID107515011
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCc1ccc(C(=O)C(C)(C)C2CCCNC2)c(F)c1F
InChIInChI=1S/C16H21F2NO/c1-10-6-7-12(14(18)13(10)17)15(20)16(2,3)11-5-4-8-19-9-11/h6-7,11,19H,4-5,8-9H2,1-3H3
InChIKeyBUJOZUAHFOYGKI-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 116611214
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 116611168
1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone
CID 107514868
2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one
CID 116611171
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83200383
1-(2-bromo-3-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611257
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114737366
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990
2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
CID 83200384
N-(2,5-difluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198550
1-(3,4-difluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611258

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one (CID 107515011) is 1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one is Cc1ccc(C(=O)C(C)(C)C2CCCNC2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The InChIKey is BUJOZUAHFOYGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-10-6-7-12(14(18)13(10)17)15(20)16(2,3)11-5-4-8-19-9-11/h6-7,11,19H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one has a molecular weight of 281.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 107515011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).