(2R)-2-[(2,4,5-trimethoxyphenyl)methyl]piperazine

• ChemBase ID: 808042
• Molecular Formular: C14H22N2O3
• Molecular Mass: 266.33608
• Monoisotopic Mass: 266.16304257
• SMILES: [C@H]1(CNCCN1)Cc1c(cc(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(OC)c(cc1C[C@@H]1CNCCN1)OC
• InChI: InChI=1S/C14H22N2O3/c1-17-12-8-14(19-3)13(18-2)7-10(12)6-11-9-15-4-5-16-11/h7-8,11,15-16H,4-6,9H2,1-3H3/t11-/m1/s1
• InChIKey: JJYJISGKWVDPKF-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(2,4,5-trimethoxyphenyl)methyl]piperazine
• IUPAC Traditional name: (2R)-2-[(2,4,5-trimethoxyphenyl)methyl]piperazine
• Synonyms: (R)-2-(2,4,5-TRIMETHOXY-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.3456147
• LogD (pH = 7.4): -0.9591336
• Log P: 0.87108076
• Molar Refractivity: 73.8762 cm^3
• Polarizability: 29.336145 Å^3
• Polar Surface Area: 51.75 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%