1-(2-methoxyphenyl)-2,2-dimethylpiperazine

• ChemBase ID: 307113
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(c2c(OC)cccc2)C(CNCC1)(C)C
• Canonical SMILES: COc1ccccc1N1CCNCC1(C)C
• InChI: InChI=1S/C13H20N2O/c1-13(2)10-14-8-9-15(13)11-6-4-5-7-12(11)16-3/h4-7,14H,8-10H2,1-3H3
• InChIKey: WTYVHNJQCFTTES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)-2,2-dimethylpiperazine
• IUPAC Traditional name: 1-(2-methoxyphenyl)-2,2-dimethylpiperazine
• Synonyms: 1-(2-methoxyphenyl)-2,2-dimethylpiperazine

Database IDs

• MDL Number: MFCD09055292

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0031643
• LogD (pH = 7.4): 0.37654772
• Log P: 2.0848417
• Molar Refractivity: 66.7622 cm^3
• Polarizability: 25.842146 Å^3
• Polar Surface Area: 24.5 Å^2