(2R)-2-(3,4,5-trimethoxyphenyl)piperazine

• ChemBase ID: 807877
• Molecular Formular: C13H20N2O3
• Molecular Mass: 252.3095
• Monoisotopic Mass: 252.14739251
• SMILES: [C@H]1(CNCCN1)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)[C@H]1NCCNC1
• InChI: InChI=1S/C13H20N2O3/c1-16-11-6-9(10-8-14-4-5-15-10)7-12(17-2)13(11)18-3/h6-7,10,14-15H,4-5,8H2,1-3H3/t10-/m0/s1
• InChIKey: SZZIGSBHEDAVBX-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(3,4,5-trimethoxyphenyl)piperazine
• IUPAC Traditional name: (2R)-2-(3,4,5-trimethoxyphenyl)piperazine
• Synonyms: (R)-2-(3,4,5-TRIMETHOXY-PHENYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.455581
• LogD (pH = 7.4): -0.9151956
• Log P: 0.5824196
• Molar Refractivity: 69.1212 cm^3
• Polarizability: 27.571026 Å^3
• Polar Surface Area: 51.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%