2-hydroxybenzoic acid; piperazine

• ChemBase ID: 110888
• Molecular Formular: C11H16N2O3
• Molecular Mass: 224.25634
• Monoisotopic Mass: 224.11609238
• SMILES: C1CNCCN1.OC(=O)c1ccccc1O
• Canonical SMILES: C1CNCCN1.OC(=O)c1ccccc1O
• InChI: InChI=1S/C7H6O3.C4H10N2/c8-6-4-2-1-3-5(6)7(9)10;1-2-6-4-3-5-1/h1-4,8H,(H,9,10);5-6H,1-4H2
• InChIKey: ZWRSFOYHMFORPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxybenzoic acid; piperazine
• IUPAC Traditional name: piperazine; salicyclic acid
• Synonyms: PIPERAZINE SALICYLATE

Database IDs

• PubChem SID: 162106420
• PubChem CID: 25022064

CALCULATED PROPERTIES

• Acid pKa: 2.7897391
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6725287
• LogD (pH = 7.4): -1.5175761
• Log P: 1.9772635
• Molar Refractivity: 35.2951 cm^3
• Polarizability: 13.298781 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05216835

MP Biomedicals Rare Chemical collection