4-piperazin-1-ylbenzoic acid;dihydrobromide

C11H16Br2N2O2 — CID 2760434

IUPAC4-piperazin-1-ylbenzoic acid;dihydrobromide
SMILESBr.Br.O=C(O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H14N2O2.2BrH/c14-11(15)9-1-3-10(4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2,(H,14,15);2*1H
InChIKeyJGAAICXGCLVVMD-UHFFFAOYSA-N
MW368.07 g/mol
LogP1.95
Rot. Bonds2

About 4-piperazin-1-ylbenzoic acid;dihydrobromide

4-piperazin-1-ylbenzoic acid;dihydrobromide (PubChem CID 2760434) has the molecular formula C11H16Br2N2O2 and a molecular weight of 368.07 g/mol. Its IUPAC name is 4-piperazin-1-ylbenzoic acid;dihydrobromide.

Molecular Properties

Compound Name4-piperazin-1-ylbenzoic acid;dihydrobromide
PubChem CID2760434
Molecular FormulaC11H16Br2N2O2
Molecular Weight368.07 g/mol
Exact Mass365.96
IUPAC Name4-piperazin-1-ylbenzoic acid;dihydrobromide
SMILESBr.Br.O=C(O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H14N2O2.2BrH/c14-11(15)9-1-3-10(4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2,(H,14,15);2*1H
InChIKeyJGAAICXGCLVVMD-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-piperazin-1-ylbenzoic acid;dihydrobromide 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 4-piperazin-1-ylbenzoic acid;dihydrobromide?
The IUPAC name of 4-piperazin-1-ylbenzoic acid;dihydrobromide (CID 2760434) is 4-piperazin-1-ylbenzoic acid;dihydrobromide.
What is the SMILES notation for 4-piperazin-1-ylbenzoic acid;dihydrobromide?
The canonical SMILES for 4-piperazin-1-ylbenzoic acid;dihydrobromide is Br.Br.O=C(O)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 4-piperazin-1-ylbenzoic acid;dihydrobromide?
The InChIKey is JGAAICXGCLVVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.2BrH/c14-11(15)9-1-3-10(4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2,(H,14,15);2*1H.
What are the key properties of 4-piperazin-1-ylbenzoic acid;dihydrobromide?
4-piperazin-1-ylbenzoic acid;dihydrobromide has a molecular weight of 368.07 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylbenzoic acid;dihydrobromide is sourced from PubChem (CID 2760434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).