(2R)-2-(2,4-dimethoxyphenyl)piperazine

• ChemBase ID: 807858
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: [C@H]1(CNCCN1)c1c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1[C@@H]1CNCCN1
• InChI: InChI=1S/C12H18N2O2/c1-15-9-3-4-10(12(7-9)16-2)11-8-13-5-6-14-11/h3-4,7,11,13-14H,5-6,8H2,1-2H3/t11-/m0/s1
• InChIKey: CSYYDKFZNFCKLE-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(2,4-dimethoxyphenyl)piperazine
• IUPAC Traditional name: (2R)-2-(2,4-dimethoxyphenyl)piperazine
• Synonyms: (R)-2-(2,4-DIMETHOXY-PHENYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2320178
• LogD (pH = 7.4): -0.645274
• Log P: 0.74009085
• Molar Refractivity: 62.658 cm^3
• Polarizability: 25.04833 Å^3
• Polar Surface Area: 42.52 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%