1-(4-methoxyphenyl)-3-methylpiperazine

• ChemBase ID: 306542
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2ccc(cc2)OC)CC(NCC1)C
• Canonical SMILES: COc1ccc(cc1)N1CCNC(C1)C
• InChI: InChI=1S/C12H18N2O/c1-10-9-14(8-7-13-10)11-3-5-12(15-2)6-4-11/h3-6,10,13H,7-9H2,1-2H3
• InChIKey: IYVXIVANRDSBDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-3-methylpiperazine
• IUPAC Traditional name: 1-(4-methoxyphenyl)-3-methylpiperazine
• Synonyms: 1-(4-methoxyphenyl)-3-methylpiperazine

Database IDs

• CAS Number: 35947-12-7
• MDL Number: MFCD06804055

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2429463
• LogD (pH = 7.4): 0.21399558
• Log P: 1.804265
• Molar Refractivity: 62.124 cm^3
• Polarizability: 23.995493 Å^3
• Polar Surface Area: 24.5 Å^2