1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one

C11H11ClFNO2 — CID 118904239

IUPAC1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one
SMILESO=C1CCN(c2ccc(Cl)cc2F)CC1O
InChIInChI=1S/C11H11ClFNO2/c12-7-1-2-9(8(13)5-7)14-4-3-10(15)11(16)6-14/h1-2,5,11,16H,3-4,6H2
InChIKeyYQAGWROJDMHDKG-UHFFFAOYSA-N
MW243.66 g/mol
LogP1.62
Rot. Bonds1

About 1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one

1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one (PubChem CID 118904239) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one
PubChem CID118904239
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one
SMILESO=C1CCN(c2ccc(Cl)cc2F)CC1O
InChIInChI=1S/C11H11ClFNO2/c12-7-1-2-9(8(13)5-7)14-4-3-10(15)11(16)6-14/h1-2,5,11,16H,3-4,6H2
InChIKeyYQAGWROJDMHDKG-UHFFFAOYSA-N
XLogP1.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 156503762
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
4-(4-chloro-2-fluorophenyl)piperazin-2-one
CID 156503488
3-[3-fluoro-4-(3-methyl-4-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 140974557
1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 143462132
1-[2-fluoro-4-(hydroxyamino)phenyl]piperidin-4-one
CID 156515873
5-[[(3R,4S)-1-(4-chloro-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904965
8-chloro-5-[[(3R,4R)-1-(4-chloro-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118904412
1-(4-chloro-2-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 64943824
5-[[(3R,4R)-1-(4-chloro-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-7,8-difluoro-3,4-dihydro-1H-quinolin-2-one
CID 118905019
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-4-one
CID 63668791

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one (CID 118904239) is 1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one is O=C1CCN(c2ccc(Cl)cc2F)CC1O.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one?
The InChIKey is YQAGWROJDMHDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c12-7-1-2-9(8(13)5-7)14-4-3-10(15)11(16)6-14/h1-2,5,11,16H,3-4,6H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one?
1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one has a molecular weight of 243.66 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-hydroxypiperidin-4-one is sourced from PubChem (CID 118904239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).