2-piperazin-1-ylbenzoic acid

C11H14N2O2 — CID 2760432

IUPAC2-piperazin-1-ylbenzoic acid
SMILESO=C(O)c1ccccc1N1CCNCC1
InChIInChI=1S/C11H14N2O2/c14-11(15)9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H,14,15)
InChIKeyZYLZQIMSYNAILC-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.79
Rot. Bonds2

About 2-piperazin-1-ylbenzoic acid

2-piperazin-1-ylbenzoic acid (PubChem CID 2760432) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-piperazin-1-ylbenzoic acid.

Molecular Properties

Compound Name2-piperazin-1-ylbenzoic acid
PubChem CID2760432
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-piperazin-1-ylbenzoic acid
SMILESO=C(O)c1ccccc1N1CCNCC1
InChIInChI=1S/C11H14N2O2/c14-11(15)9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H,14,15)
InChIKeyZYLZQIMSYNAILC-UHFFFAOYSA-N
XLogP0.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylbenzoic acid?
The IUPAC name of 2-piperazin-1-ylbenzoic acid (CID 2760432) is 2-piperazin-1-ylbenzoic acid.
What is the SMILES notation for 2-piperazin-1-ylbenzoic acid?
The canonical SMILES for 2-piperazin-1-ylbenzoic acid is O=C(O)c1ccccc1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylbenzoic acid?
The InChIKey is ZYLZQIMSYNAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H,14,15).
What are the key properties of 2-piperazin-1-ylbenzoic acid?
2-piperazin-1-ylbenzoic acid has a molecular weight of 206.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylbenzoic acid is sourced from PubChem (CID 2760432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).