1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine

C17H18BrFN2 — CID 130302892

IUPAC1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
SMILESFc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H18BrFN2/c18-15-6-7-17(16(19)12-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyORTUFHIWXAHDSV-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.91
Rot. Bonds3

About 1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine

1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine (PubChem CID 130302892) has the molecular formula C17H18BrFN2 and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
PubChem CID130302892
Molecular FormulaC17H18BrFN2
Molecular Weight349.25 g/mol
Exact Mass348.06
IUPAC Name1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
SMILESFc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H18BrFN2/c18-15-6-7-17(16(19)12-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyORTUFHIWXAHDSV-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
2-(4-benzylpiperazin-1-yl)-5-bromoaniline
CID 11544746
2-(4-benzylpiperazin-1-yl)-5-bromophenol
CID 46737219
[4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol
CID 166679156
1-benzyl-4-(2,3,4-trifluorophenyl)piperazine
CID 110452591
4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine
CID 170870614
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
CID 8529069
1-[2-(4-benzylpiperazin-1-yl)-4-bromophenyl]butan-2-amine
CID 113233595
1-[(4-ethylphenyl)methyl]-4-(2-fluoro-4-methylphenyl)piperazine
CID 155710280
methyl 4-(4-benzylpiperazin-1-yl)-5-fluoro-2-methoxybenzoate
CID 23024318
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine?
The IUPAC name of 1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine (CID 130302892) is 1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine?
The canonical SMILES for 1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine is Fc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine?
The InChIKey is ORTUFHIWXAHDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2/c18-15-6-7-17(16(19)12-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2.
What are the key properties of 1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine?
1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine has a molecular weight of 349.25 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine is sourced from PubChem (CID 130302892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).