1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one

C14H17F2NO2 — CID 62037746

IUPAC1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N1CCCC(O)C1
InChIInChI=1S/C14H17F2NO2/c1-9(17-6-2-3-11(18)8-17)14(19)12-5-4-10(15)7-13(12)16/h4-5,7,9,11,18H,2-3,6,8H2,1H3
InChIKeyPGRDBJQVWUDXRS-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.99
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one

1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 62037746) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
PubChem CID62037746
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N1CCCC(O)C1
InChIInChI=1S/C14H17F2NO2/c1-9(17-6-2-3-11(18)8-17)14(19)12-5-4-10(15)7-13(12)16/h4-5,7,9,11,18H,2-3,6,8H2,1H3
InChIKeyPGRDBJQVWUDXRS-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-difluorophenyl)propan-1-one
CID 79929510
1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164974
1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60680696
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43794426
1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol
CID 110900453
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63763871
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110884135
1-(2,4-difluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 62888795
1-(2,4-difluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 43797028
2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62035237

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one (CID 62037746) is 1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one is CC(C(=O)c1ccc(F)cc1F)N1CCCC(O)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is PGRDBJQVWUDXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-9(17-6-2-3-11(18)8-17)14(19)12-5-4-10(15)7-13(12)16/h4-5,7,9,11,18H,2-3,6,8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one?
1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 269.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 62037746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).