1-(3-bromophenyl)piperazine

C10H13BrN2 — CID 2757154

IUPAC1-(3-bromophenyl)piperazine
SMILESBrc1cccc(N2CCNCC2)c1
InChIInChI=1S/C10H13BrN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKeyDOYNABJKDZARLF-UHFFFAOYSA-N
MW241.13 g/mol
LogP1.86
Rot. Bonds1

About 1-(3-bromophenyl)piperazine

1-(3-bromophenyl)piperazine (PubChem CID 2757154) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)piperazine.

Molecular Properties

Compound Name1-(3-bromophenyl)piperazine
PubChem CID2757154
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name1-(3-bromophenyl)piperazine
SMILESBrc1cccc(N2CCNCC2)c1
InChIInChI=1S/C10H13BrN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKeyDOYNABJKDZARLF-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)piperazine?
The IUPAC name of 1-(3-bromophenyl)piperazine (CID 2757154) is 1-(3-bromophenyl)piperazine.
What is the SMILES notation for 1-(3-bromophenyl)piperazine?
The canonical SMILES for 1-(3-bromophenyl)piperazine is Brc1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-(3-bromophenyl)piperazine?
The InChIKey is DOYNABJKDZARLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2.
What are the key properties of 1-(3-bromophenyl)piperazine?
1-(3-bromophenyl)piperazine has a molecular weight of 241.13 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)piperazine is sourced from PubChem (CID 2757154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).