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

C11H11BrFNO2 — CID 22313548

IUPAC1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one
SMILESO=C1C(O)CCCN1c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFNO2/c12-7-3-4-9(8(13)6-7)14-5-1-2-10(15)11(14)16/h3-4,6,10,15H,1-2,5H2
InChIKeyNLSCMSUFXRSBPR-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.08
Rot. Bonds1

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

1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one (PubChem CID 22313548) 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-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one
PubChem CID22313548
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one
SMILESO=C1C(O)CCCN1c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFNO2/c12-7-3-4-9(8(13)6-7)14-5-1-2-10(15)11(14)16/h3-4,6,10,15H,1-2,5H2
InChIKeyNLSCMSUFXRSBPR-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one (CID 22313548) is 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one is O=C1C(O)CCCN1c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one?
The InChIKey is NLSCMSUFXRSBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-7-3-4-9(8(13)6-7)14-5-1-2-10(15)11(14)16/h3-4,6,10,15H,1-2,5H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one?
1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one has a molecular weight of 288.12 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 22313548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).