1-(4-bromo-3-fluorophenyl)piperazine

C10H12BrFN2 — CID 4738843

IUPAC1-(4-bromo-3-fluorophenyl)piperazine
SMILESFc1cc(N2CCNCC2)ccc1Br
InChIInChI=1S/C10H12BrFN2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyUZBPQLFHGPRBDW-UHFFFAOYSA-N
MW259.12 g/mol
LogP2.00
Rot. Bonds1

About 1-(4-bromo-3-fluorophenyl)piperazine

1-(4-bromo-3-fluorophenyl)piperazine (PubChem CID 4738843) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)piperazine
PubChem CID4738843
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name1-(4-bromo-3-fluorophenyl)piperazine
SMILESFc1cc(N2CCNCC2)ccc1Br
InChIInChI=1S/C10H12BrFN2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyUZBPQLFHGPRBDW-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)piperazine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)piperazine (CID 4738843) is 1-(4-bromo-3-fluorophenyl)piperazine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)piperazine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)piperazine is Fc1cc(N2CCNCC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)piperazine?
The InChIKey is UZBPQLFHGPRBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)piperazine?
1-(4-bromo-3-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-(4-bromo-3-fluorophenyl)piperazine is sourced from PubChem (CID 4738843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).