1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one

C14H17F2NO — CID 58514169

IUPAC1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1c(F)cccc1F
InChIInChI=1S/C14H17F2NO/c15-11-5-4-6-12(16)14(11)13(18)7-10-17-8-2-1-3-9-17/h4-6H,1-3,7-10H2
InChIKeyKDFGRMMEILNGHZ-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.02
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one

1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 58514169) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID58514169
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1c(F)cccc1F
InChIInChI=1S/C14H17F2NO/c15-11-5-4-6-12(16)14(11)13(18)7-10-17-8-2-1-3-9-17/h4-6H,1-3,7-10H2
InChIKeyKDFGRMMEILNGHZ-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
CID 139708502
1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514245
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025506
1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 82050209
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
N-[2-(azepan-1-yl)ethyl]-3-bromo-2-fluorobenzamide
CID 106547835
1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052523
3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one
CID 73213851
2-fluoro-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 110753364
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one (CID 58514169) is 1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is KDFGRMMEILNGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-11-5-4-6-12(16)14(11)13(18)7-10-17-8-2-1-3-9-17/h4-6H,1-3,7-10H2.
What are the key properties of 1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one?
1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 253.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 58514169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).