1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine

C13H18BrFN2 — CID 64980595

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine
SMILESCC1CN(Cc2cc(F)ccc2Br)C(C)CN1
InChIInChI=1S/C13H18BrFN2/c1-9-7-17(10(2)6-16-9)8-11-5-12(15)3-4-13(11)14/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyNUICEJIXTXDFAK-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.77
Rot. Bonds2

About 1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine

1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine (PubChem CID 64980595) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine
PubChem CID64980595
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine
SMILESCC1CN(Cc2cc(F)ccc2Br)C(C)CN1
InChIInChI=1S/C13H18BrFN2/c1-9-7-17(10(2)6-16-9)8-11-5-12(15)3-4-13(11)14/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyNUICEJIXTXDFAK-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine
CID 64843561
1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906190
1-[(5-fluoro-1-benzofuran-2-yl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906424
(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine
CID 120906011
5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine
CID 102620665
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine
CID 65331441
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine
CID 64844702
[1-[(2-bromo-5-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80507086
1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833514
1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906434

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine (CID 64980595) is 1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine is CC1CN(Cc2cc(F)ccc2Br)C(C)CN1.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine?
The InChIKey is NUICEJIXTXDFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-9-7-17(10(2)6-16-9)8-11-5-12(15)3-4-13(11)14/h3-5,9-10,16H,6-8H2,1-2H3.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine?
1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine has a molecular weight of 301.20 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64980595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).