2-methoxy-5-(piperazin-1-yl)phenol

• ChemBase ID: 804701
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1(c(ccc(c1)N1CCNCC1)OC)O
• Canonical SMILES: COc1ccc(cc1O)N1CCNCC1
• InChI: InChI=1S/C11H16N2O2/c1-15-11-3-2-9(8-10(11)14)13-6-4-12-5-7-13/h2-3,8,12,14H,4-7H2,1H3
• InChIKey: JEITXSUTZNDIBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(piperazin-1-yl)phenol
• IUPAC Traditional name: 2-methoxy-5-(piperazin-1-yl)phenol
• Synonyms: 2-METHOXY-5-PIPERAZIN-1-YL-PHENOL

Database IDs

• CAS Number: 180698-25-3

CALCULATED PROPERTIES

• Acid pKa: 10.174535
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9235258
• LogD (pH = 7.4): -0.41000035
• Log P: 0.8221395
• Molar Refractivity: 59.6861 cm^3
• Polarizability: 22.753605 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%