N-(2-methoxyphenyl)-1-methylpiperidin-4-amine

• ChemBase ID: 269741
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N(c1c(OC)cccc1)C1CCN(CC1)C
• Canonical SMILES: COc1ccccc1NC1CCN(CC1)C
• InChI: InChI=1S/C13H20N2O/c1-15-9-7-11(8-10-15)14-12-5-3-4-6-13(12)16-2/h3-6,11,14H,7-10H2,1-2H3
• InChIKey: SVEGXXVOBPBVGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyphenyl)-1-methylpiperidin-4-amine
• IUPAC Traditional name: N-(2-methoxyphenyl)-1-methylpiperidin-4-amine
• Synonyms: N-(2-methoxyphenyl)-1-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD11141275
• PubChem SID: 164325651
• PubChem CID: 28332255

CALCULATED PROPERTIES

• Acid pKa: 19.503647
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7714804
• LogD (pH = 7.4): -0.0862221
• Log P: 1.3151588
• Molar Refractivity: 68.1661 cm^3
• Polarizability: 25.843264 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.632

Product Information

• Purity: 95%