1-(3,5-dimethoxyphenyl)piperidin-4-amine

• ChemBase ID: 235098
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: N1(c2cc(cc(c2)OC)OC)CCC(CC1)N
• Canonical SMILES: COc1cc(cc(c1)OC)N1CCC(CC1)N
• InChI: InChI=1S/C13H20N2O2/c1-16-12-7-11(8-13(9-12)17-2)15-5-3-10(14)4-6-15/h7-10H,3-6,14H2,1-2H3
• InChIKey: HAVBOLKMGXMPIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-dimethoxyphenyl)piperidin-4-amine
• IUPAC Traditional name: 1-(3,5-dimethoxyphenyl)piperidin-4-amine
• Synonyms: 1-(3,5-dimethoxyphenyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD09946200
• PubChem SID: 164291008
• PubChem CID: 24706707

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0428097
• LogD (pH = 7.4): -1.5081662
• Log P: 0.9771249
• Molar Refractivity: 68.7948 cm^3
• Polarizability: 26.50698 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.022

Product Information

• Purity: 95%