1-(3,5-dimethoxyphenyl)piperazine

• ChemBase ID: 180174
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: c1(N2CCNCC2)cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(cc(c1)OC)N1CCNCC1
• InChI: InChI=1S/C12H18N2O2/c1-15-11-7-10(8-12(9-11)16-2)14-5-3-13-4-6-14/h7-9,13H,3-6H2,1-2H3
• InChIKey: COWMQOCYJSUFSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-dimethoxyphenyl)piperazine
• IUPAC Traditional name: 1-(3,5-dimethoxyphenyl)piperazine
• Synonyms: 1-(3,5-Dimethoxyphenyl)piperazine

Database IDs

• CAS Number: 53557-93-0
• MDL Number: MFCD00040764
• PubChem SID: 164236084
• PubChem CID: 2736205

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7647998
• LogD (pH = 7.4): -0.2346893
• Log P: 1.2300187
• Molar Refractivity: 64.1684 cm^3
• Polarizability: 24.665352 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%