1-(5-bromo-2-fluoro-4-methylphenyl)piperazine

C11H14BrFN2 — CID 155722083

IUPAC1-(5-bromo-2-fluoro-4-methylphenyl)piperazine
SMILESCc1cc(F)c(N2CCNCC2)cc1Br
InChIInChI=1S/C11H14BrFN2/c1-8-6-10(13)11(7-9(8)12)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3
InChIKeyJRNPTPXUAWFFRO-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.31
Rot. Bonds1

About 1-(5-bromo-2-fluoro-4-methylphenyl)piperazine

1-(5-bromo-2-fluoro-4-methylphenyl)piperazine (PubChem CID 155722083) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 1-(5-bromo-2-fluoro-4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-2-fluoro-4-methylphenyl)piperazine
PubChem CID155722083
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name1-(5-bromo-2-fluoro-4-methylphenyl)piperazine
SMILESCc1cc(F)c(N2CCNCC2)cc1Br
InChIInChI=1S/C11H14BrFN2/c1-8-6-10(13)11(7-9(8)12)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3
InChIKeyJRNPTPXUAWFFRO-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-Bromo-4-methyl-phenyl)-2-(4-ethyl-piperazin-1-yl)-acetamide
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5-Bromo-1,2,3,4-tetrahydroquinoline
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1-(3-Bromophenyl)piperazine
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7-Bromo-6-methyl-1,2,3,4-tetrahydroquinoline
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3-Bromo-4-((dimethylamino)methyl)aniline
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CID 23291925
5-bromo-N1-methyl-4-(trifluoromethyl)benzene-1,2-diamine
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1-(2-Bromobenzyl)-4-(4-fluorophenyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluoro-4-methylphenyl)piperazine?
The IUPAC name of 1-(5-bromo-2-fluoro-4-methylphenyl)piperazine (CID 155722083) is 1-(5-bromo-2-fluoro-4-methylphenyl)piperazine.
What is the SMILES notation for 1-(5-bromo-2-fluoro-4-methylphenyl)piperazine?
The canonical SMILES for 1-(5-bromo-2-fluoro-4-methylphenyl)piperazine is Cc1cc(F)c(N2CCNCC2)cc1Br.
What is the InChIKey of 1-(5-bromo-2-fluoro-4-methylphenyl)piperazine?
The InChIKey is JRNPTPXUAWFFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-8-6-10(13)11(7-9(8)12)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3.
What are the key properties of 1-(5-bromo-2-fluoro-4-methylphenyl)piperazine?
1-(5-bromo-2-fluoro-4-methylphenyl)piperazine has a molecular weight of 273.15 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluoro-4-methylphenyl)piperazine is sourced from PubChem (CID 155722083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).