1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one

C14H17F2NO — CID 58514245

IUPAC1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2NO/c15-12-5-4-11(10-13(12)16)14(18)6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2
InChIKeyBWQGQZJFTYXLEX-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.02
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one

1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 58514245) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID58514245
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2NO/c15-12-5-4-11(10-13(12)16)14(18)6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2
InChIKeyBWQGQZJFTYXLEX-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

1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 82050209
1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514169
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
1-(3H-inden-5-yl)-3-piperidin-1-ylpropan-1-one
CID 58514231
1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one
CID 58514088
1-(3-chloro-4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
CID 96667810
1-(1-benzothiophen-6-yl)-3-piperidin-1-ylpropan-1-one
CID 58514078
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
1-(aziridin-1-yl)-5-(3,4-difluorophenyl)pentane-1,5-dione
CID 94270185
3-(1,4-diazepan-1-yl)-1-(4-fluoro-3-nitrophenyl)propan-1-one
CID 82136481

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one (CID 58514245) is 1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is BWQGQZJFTYXLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-12-5-4-11(10-13(12)16)14(18)6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2.
What are the key properties of 1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one?
1-(3,4-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-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 58514245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).