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

C10H13BrClFN2 — CID 134128531

IUPAC1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1cc(Br)cc(N2CCNCC2)c1
InChIInChI=1S/C10H12BrFN2.ClH/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;/h5-7,13H,1-4H2;1H
InChIKeyVZHINVKCFGIFOH-UHFFFAOYSA-N
MW295.58 g/mol
LogP2.42
Rot. Bonds1

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

1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride (PubChem CID 134128531) has the molecular formula C10H13BrClFN2 and a molecular weight of 295.58 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride
PubChem CID134128531
Molecular FormulaC10H13BrClFN2
Molecular Weight295.58 g/mol
Exact Mass293.99
IUPAC Name1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1cc(Br)cc(N2CCNCC2)c1
InChIInChI=1S/C10H12BrFN2.ClH/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;/h5-7,13H,1-4H2;1H
InChIKeyVZHINVKCFGIFOH-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.58
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride (CID 134128531) is 1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride is Cl.Fc1cc(Br)cc(N2CCNCC2)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride?
The InChIKey is VZHINVKCFGIFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2.ClH/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14;/h5-7,13H,1-4H2;1H.
What are the key properties of 1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride?
1-(3-bromo-5-fluorophenyl)piperazine;hydrochloride has a molecular weight of 295.58 g/mol, XLogP of 2.42, 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;hydrochloride is sourced from PubChem (CID 134128531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).