1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine

• ChemBase ID: 129350
• Molecular Formular: C23H32N2O2
• Molecular Mass: 368.51238
• Monoisotopic Mass: 368.24637827
• SMILES: COc1c(OC)cc(CCN2CCN(CCCc3ccccc3)CC2)cc1
• Canonical SMILES: COc1cc(CCN2CCN(CC2)CCCc2ccccc2)ccc1OC
• InChI: InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
• InChIKey: UVSWWUWQVAQPJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine
• IUPAC Traditional name: cutamesine
• Synonyms: SA-4503

Database IDs

• CAS Number: 165377-43-5
• PubChem SID: 162223644
• PubChem CID: 9954941; 9907323
• Wikipedia Title: SA-4503

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1473261
• LogD (pH = 7.4): 2.8453698
• Log P: 4.192784
• Molar Refractivity: 112.3008 cm^3
• Polarizability: 43.736404 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true