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-Chlorophenyl)piperidin-4-one
CID 14212774
4-Chlorophenyl-4-hydroxypiperidine
CID 10727229
1-(4-Chloro-3-fluorophenyl)piperidin-4-one
CID 61470024
1-(4-Chloro-2-fluorophenyl)piperidin-4-one
CID 61472810
1-(4-Chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one
CID 118904053
1-(4-Chloro-2-fluorophenyl)-3-fluoropiperidin-4-one
CID 118904112
1-(4-Chloro-2,5-difluorophenyl)-4-(hydroxymethyl)piperidin-3-ol
CID 118904113
(3R,4R)-1-(4-chloro-2,5-difluorophenyl)-4-(hydroxymethyl)piperidin-3-ol
CID 118904115
1-(4-Chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one
CID 118904153
(3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one
CID 118904156
(3R,4R)-6-(4-chloro-2-fluorophenyl)-1-oxa-6-azaspiro[2.5]octan-4-ol
CID 118904175
1-(4-Chloro-2,5-difluorophenyl)piperidin-4-one
CID 118904185

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).