N-(3,4-dimethoxyphenyl)piperidin-3-amine

• ChemBase ID: 515893
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: c1c(c(ccc1NC1CNCCC1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)NC1CCCNC1
• InChI: InChI=1S/C13H20N2O2/c1-16-12-6-5-10(8-13(12)17-2)15-11-4-3-7-14-9-11/h5-6,8,11,14-15H,3-4,7,9H2,1-2H3
• InChIKey: KGPGXJNMOOKBMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethoxyphenyl)piperidin-3-amine
• IUPAC Traditional name: N-(3,4-dimethoxyphenyl)piperidin-3-amine
• Synonyms: N-(3,4-dimethoxyphenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9541767
• LogD (pH = 7.4): -0.92437977
• Log P: 1.2318425
• Molar Refractivity: 69.1138 cm^3
• Polarizability: 26.507982 Å^3
• Polar Surface Area: 42.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.05
• LOG S: -0.81
• Polar Surface Area: 42.52 Å^2
• Rotatable Bonds: 4