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

C12H16BrFN2 — CID 107594272

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine
SMILESCc1cc(F)c(Br)cc1N1CCNCC1C
InChIInChI=1S/C12H16BrFN2/c1-8-5-11(14)10(13)6-12(8)16-4-3-15-7-9(16)2/h5-6,9,15H,3-4,7H2,1-2H3
InChIKeyUETJDIHGCHFGDR-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.69
Rot. Bonds1

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

1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine (PubChem CID 107594272) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine
PubChem CID107594272
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine
SMILESCc1cc(F)c(Br)cc1N1CCNCC1C
InChIInChI=1S/C12H16BrFN2/c1-8-5-11(14)10(13)6-12(8)16-4-3-15-7-9(16)2/h5-6,9,15H,3-4,7H2,1-2H3
InChIKeyUETJDIHGCHFGDR-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine
CID 103587648
2-methyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64930528
1-(2-bromo-4-chlorophenyl)-2-methylpiperazine
CID 81271887
(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
CID 121448830
1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 11500220
1-(5-bromo-4-fluoro-2-methylphenyl)-5-butan-2-yl-2-methylpiperazine
CID 107594278
1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine
CID 107794385
(2S)-1-(2-fluoro-4-propan-2-ylphenyl)-2-methylpiperazine
CID 138530358
(2S)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11514137
(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine
CID 11543595
(2S)-1-(2,5-dichlorophenyl)-2-methylpiperazine
CID 11492480
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 107594300

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine (CID 107594272) is 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine is Cc1cc(F)c(Br)cc1N1CCNCC1C.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine?
The InChIKey is UETJDIHGCHFGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-8-5-11(14)10(13)6-12(8)16-4-3-15-7-9(16)2/h5-6,9,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine?
1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine has a molecular weight of 287.18 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine is sourced from PubChem (CID 107594272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).