2-(2,3-dimethoxyphenyl)piperazine

• ChemBase ID: 807853
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: C1(CNCCN1)c1c(c(ccc1)OC)OC
• Canonical SMILES: COc1c(C2CNCCN2)cccc1OC
• InChI: InChI=1S/C12H18N2O2/c1-15-11-5-3-4-9(12(11)16-2)10-8-13-6-7-14-10/h3-5,10,13-14H,6-8H2,1-2H3
• InChIKey: SNDXTRKREWUJQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dimethoxyphenyl)piperazine
• IUPAC Traditional name: 2-(2,3-dimethoxyphenyl)piperazine
• Synonyms: 2-(2,3-DIMETHOXY-PHENYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2145276
• LogD (pH = 7.4): -0.6143988
• Log P: 0.74009085
• Molar Refractivity: 62.658 cm^3
• Polarizability: 25.049885 Å^3
• Polar Surface Area: 42.52 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%