1-(3-methoxyphenyl)-2,2-dimethylpiperazine

• ChemBase ID: 307112
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(c2cc(OC)ccc2)C(CNCC1)(C)C
• Canonical SMILES: COc1cccc(c1)N1CCNCC1(C)C
• InChI: InChI=1S/C13H20N2O/c1-13(2)10-14-7-8-15(13)11-5-4-6-12(9-11)16-3/h4-6,9,14H,7-8,10H2,1-3H3
• InChIKey: ADFATRLZAILYJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxyphenyl)-2,2-dimethylpiperazine
• IUPAC Traditional name: 1-(3-methoxyphenyl)-2,2-dimethylpiperazine
• Synonyms: 1-(3-methoxyphenyl)-2,2-dimethylpiperazine

Database IDs

• MDL Number: MFCD09055291

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0109789
• LogD (pH = 7.4): 0.35107967
• Log P: 2.0848417
• Molar Refractivity: 66.7622 cm^3
• Polarizability: 25.84113 Å^3
• Polar Surface Area: 24.5 Å^2