1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone

C12H14BrFN2O — CID 82263442

IUPAC1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFN2O/c13-9-1-2-11(14)10(7-9)12(17)8-16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2
InChIKeyHQLZPZBYAHHLFX-UHFFFAOYSA-N
MW301.16 g/mol
LogP1.68
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone

1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone (PubChem CID 82263442) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone
PubChem CID82263442
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFN2O/c13-9-1-2-11(14)10(7-9)12(17)8-16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2
InChIKeyHQLZPZBYAHHLFX-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone
CID 116559534
2-(1,4-diazepan-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62036985
1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 82050209
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
5-bromo-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454675
1-(3-bromophenyl)-2-(1,4-diazepan-1-yl)ethanone
CID 62036990
1-(5-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 79953274
1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone
CID 22355888
1-(5-bromo-2-fluorophenyl)-2-(4-methylpiperazin-2-yl)ethanone
CID 116920030
1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 165354806
1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone
CID 62053520

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone (CID 82263442) is 1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone is O=C(CN1CCNCC1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone?
The InChIKey is HQLZPZBYAHHLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c13-9-1-2-11(14)10(7-9)12(17)8-16-5-3-15-4-6-16/h1-2,7,15H,3-6,8H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone?
1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone has a molecular weight of 301.16 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 82263442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).