2-(3,4-dimethoxyphenyl)piperazine

• ChemBase ID: 811879
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: C1(CNCCN1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C1CNCCN1
• InChI: InChI=1S/C12H18N2O2/c1-15-11-4-3-9(7-12(11)16-2)10-8-13-5-6-14-10/h3-4,7,10,13-14H,5-6,8H2,1-2H3
• InChIKey: XMTDOVQYBQWJAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)piperazine
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)piperazine
• Synonyms: 2-(3,4-DIMETHOXY-PHENYL)-PIPERAZINE

Database IDs

• CAS Number: 65709-39-9

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.3324065
• LogD (pH = 7.4): -0.8200737
• Log P: 0.74009085
• Molar Refractivity: 62.658 cm^3
• Polarizability: 25.049618 Å^3
• Polar Surface Area: 42.52 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%