2-methoxy-4-(piperazin-1-yl)phenol

• ChemBase ID: 293704
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: Oc1ccc(N2CCNCC2)cc1OC
• Canonical SMILES: COc1cc(ccc1O)N1CCNCC1
• InChI: InChI=1S/C11H16N2O2/c1-15-11-8-9(2-3-10(11)14)13-6-4-12-5-7-13/h2-3,8,12,14H,4-7H2,1H3
• InChIKey: JNYQZYVLEBQJSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-(piperazin-1-yl)phenol
• IUPAC Traditional name: 2-methoxy-4-(piperazin-1-yl)phenol
• Synonyms: 2-Methoxy-4-(piperazin-1-yl)phenol; 2-METHOXY-4-PIPERAZIN-1-YL-PHENOL

Database IDs

• CAS Number: 925889-93-6
• PubChem SID: 180679235
• PubChem CID: 24820540

CALCULATED PROPERTIES

• Acid pKa: 10.7565775
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9243592
• LogD (pH = 7.4): -0.41135827
• Log P: 0.9810466
• Molar Refractivity: 59.6861 cm^3
• Polarizability: 22.7536 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%