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

C11H11BrFNO2 — CID 118904294

IUPAC1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one
SMILESO=C1CCN(c2ccc(Br)cc2F)CC1O
InChIInChI=1S/C11H11BrFNO2/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
InChIKeyWKOGTFSHSJAWTI-UHFFFAOYSA-N
MW288.12 g/mol
LogP1.73
Rot. Bonds1

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

1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one (PubChem CID 118904294) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one
PubChem CID118904294
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one
SMILESO=C1CCN(c2ccc(Br)cc2F)CC1O
InChIInChI=1S/C11H11BrFNO2/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
InChIKeyWKOGTFSHSJAWTI-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one (CID 118904294) is 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one is O=C1CCN(c2ccc(Br)cc2F)CC1O.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one?
The InChIKey is WKOGTFSHSJAWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/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-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one?
1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one has a molecular weight of 288.12 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one is sourced from PubChem (CID 118904294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).