4-piperazin-1-ylbenzoic acid

C11H14N2O2 — CID 1180477

IUPAC4-piperazin-1-ylbenzoic acid
SMILESO=C(O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H14N2O2/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)
InChIKeyIAGYKSQGLCAAAD-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.79
Rot. Bonds2

About 4-piperazin-1-ylbenzoic acid

4-piperazin-1-ylbenzoic acid (PubChem CID 1180477) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-piperazin-1-ylbenzoic acid.

Molecular Properties

Compound Name4-piperazin-1-ylbenzoic acid
PubChem CID1180477
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-piperazin-1-ylbenzoic acid
SMILESO=C(O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H14N2O2/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)
InChIKeyIAGYKSQGLCAAAD-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 4-piperazin-1-ylbenzoic acid?
The IUPAC name of 4-piperazin-1-ylbenzoic acid (CID 1180477) is 4-piperazin-1-ylbenzoic acid.
What is the SMILES notation for 4-piperazin-1-ylbenzoic acid?
The canonical SMILES for 4-piperazin-1-ylbenzoic acid is O=C(O)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 4-piperazin-1-ylbenzoic acid?
The InChIKey is IAGYKSQGLCAAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/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).
What are the key properties of 4-piperazin-1-ylbenzoic acid?
4-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 4-piperazin-1-ylbenzoic acid is sourced from PubChem (CID 1180477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).