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

C11H11BrFNO2 — CID 118904292

IUPAC(3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one
SMILESO=C1CCN(c2ccc(Br)cc2F)C[C@H]1O
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/t11-/m1/s1
InChIKeyWKOGTFSHSJAWTI-LLVKDONJSA-N
MW288.12 g/mol
LogP1.73
Rot. Bonds1

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

(3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one (PubChem CID 118904292) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is (3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one.

Molecular Properties

Compound Name(3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one
PubChem CID118904292
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name(3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one
SMILESO=C1CCN(c2ccc(Br)cc2F)C[C@H]1O
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/t11-/m1/s1
InChIKeyWKOGTFSHSJAWTI-LLVKDONJSA-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 (3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one?
The IUPAC name of (3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one (CID 118904292) is (3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one.
What is the SMILES notation for (3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one?
The canonical SMILES for (3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one is O=C1CCN(c2ccc(Br)cc2F)C[C@H]1O.
What is the InChIKey of (3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one?
The InChIKey is WKOGTFSHSJAWTI-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of (3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one?
(3R)-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 (3R)-1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-4-one is sourced from PubChem (CID 118904292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).