1-(3-bromo-5-fluorophenyl)piperazine

C10H12BrFN2 — CID 11470921

IUPAC1-(3-bromo-5-fluorophenyl)piperazine
SMILESFc1cc(Br)cc(N2CCNCC2)c1
InChIInChI=1S/C10H12BrFN2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKeyZROPTBSVNJFTLR-UHFFFAOYSA-N
MW259.12 g/mol
LogP2.00
Rot. Bonds1

About 1-(3-bromo-5-fluorophenyl)piperazine

1-(3-bromo-5-fluorophenyl)piperazine (PubChem CID 11470921) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)piperazine
PubChem CID11470921
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name1-(3-bromo-5-fluorophenyl)piperazine
SMILESFc1cc(Br)cc(N2CCNCC2)c1
InChIInChI=1S/C10H12BrFN2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKeyZROPTBSVNJFTLR-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Phenylpiperazine
CID 7096
1-(2-Fluorophenyl)piperazine
CID 70529
1-(3-Fluorophenyl)piperazine
CID 77418
1-(4-Fluorophenyl)piperazine
CID 75260
2-[4-(4-Fluorophenyl)piperazin-1-yl]ethanamine
CID 20115696
3-Bromo-N-methylaniline
CID 7018299
1-(4-Bromophenyl)-4-methylpiperazine
CID 11817675
{2-[(3-Bromophenyl)amino]ethyl}dimethylamine
CID 28581237
Fluorophenylpiperazine
CID 53911877
N-(3-bromophenyl)-N',N'-diethylpropane-1,3-diamine
CID 44399297
3-bromo-N-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]aniline
CID 90656679
1-Piperidineacetamide, N-(3-bromophenyl)-
CID 969575

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)piperazine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)piperazine (CID 11470921) is 1-(3-bromo-5-fluorophenyl)piperazine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)piperazine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)piperazine is Fc1cc(Br)cc(N2CCNCC2)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)piperazine?
The InChIKey is ZROPTBSVNJFTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)piperazine?
1-(3-bromo-5-fluorophenyl)piperazine has a molecular weight of 259.12 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)piperazine is sourced from PubChem (CID 11470921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).