1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one

C14H17F2NO — CID 105411916

IUPAC1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
SMILESO=C(Cc1cc(F)cc(F)c1)CC1CCCNC1
InChIInChI=1S/C14H17F2NO/c15-12-4-11(5-13(16)8-12)7-14(18)6-10-2-1-3-17-9-10/h4-5,8,10,17H,1-3,6-7,9H2
InChIKeyIBNOGPFEGNTSEQ-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.47
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one

1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one (PubChem CID 105411916) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
PubChem CID105411916
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
SMILESO=C(Cc1cc(F)cc(F)c1)CC1CCCNC1
InChIInChI=1S/C14H17F2NO/c15-12-4-11(5-13(16)8-12)7-14(18)6-10-2-1-3-17-9-10/h4-5,8,10,17H,1-3,6-7,9H2
InChIKeyIBNOGPFEGNTSEQ-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564283
3-[(3,5-difluorophenyl)methyl]azepane
CID 105411836
1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564113
2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555516
1-(3-bromo-4-methoxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564329
1-(4-bromothiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564275
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
CID 105405282
1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564193
2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone
CID 105411850
1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
CID 116564213
N-(3-chloro-5-fluorophenyl)-2-piperidin-3-ylacetamide
CID 107365833

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one (CID 105411916) is 1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one is O=C(Cc1cc(F)cc(F)c1)CC1CCCNC1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one?
The InChIKey is IBNOGPFEGNTSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-12-4-11(5-13(16)8-12)7-14(18)6-10-2-1-3-17-9-10/h4-5,8,10,17H,1-3,6-7,9H2.
What are the key properties of 1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one?
1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one has a molecular weight of 253.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one is sourced from PubChem (CID 105411916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).