1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine

C16H16BrFN2 — CID 107640112

IUPAC1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine
SMILESFc1ccc(Br)c(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C16H16BrFN2/c17-14-7-6-13(18)10-16(14)20-9-8-19-15(11-20)12-4-2-1-3-5-12/h1-7,10,15,19H,8-9,11H2
InChIKeyFQUFTRQCUYNGJX-UHFFFAOYSA-N
MW335.22 g/mol
LogP3.74
Rot. Bonds2

About 1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine

1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine (PubChem CID 107640112) has the molecular formula C16H16BrFN2 and a molecular weight of 335.22 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine
PubChem CID107640112
Molecular FormulaC16H16BrFN2
Molecular Weight335.22 g/mol
Exact Mass334.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine
SMILESFc1ccc(Br)c(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C16H16BrFN2/c17-14-7-6-13(18)10-16(14)20-9-8-19-15(11-20)12-4-2-1-3-5-12/h1-7,10,15,19H,8-9,11H2
InChIKeyFQUFTRQCUYNGJX-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromophenyl)-3-phenyl-1,4-diazepane
CID 64943420
1-(2-chloro-5-fluorophenyl)-3-phenyl-1,4-diazepane
CID 107531557
1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine
CID 64924315
1-(2,6-dibromophenyl)-3-phenylpiperazine
CID 107603858
1-(5-bromo-2-fluorophenyl)-3-phenyl-1,4-diazepane
CID 64944133
1-(2-methylsulfanylphenyl)-3-phenylpiperazine
CID 107646407
1-(2-bromo-5-fluorophenyl)-2-phenylpiperazine
CID 107640075
1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane
CID 64943123
1-(2-bromo-5-fluorophenyl)-3-tert-butyl-1,4-diazepane
CID 107640121
3-benzyl-1-(2,5-difluorophenyl)piperazine
CID 64925374
1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine
CID 64832271
1-(4-bromo-2-chlorophenyl)-3-phenyl-1,4-diazepane
CID 64944181

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine (CID 107640112) is 1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine is Fc1ccc(Br)c(N2CCNC(c3ccccc3)C2)c1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine?
The InChIKey is FQUFTRQCUYNGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2/c17-14-7-6-13(18)10-16(14)20-9-8-19-15(11-20)12-4-2-1-3-5-12/h1-7,10,15,19H,8-9,11H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine?
1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine has a molecular weight of 335.22 g/mol, XLogP of 3.74, 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)-3-phenylpiperazine is sourced from PubChem (CID 107640112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).