(3S,4R)-3-methoxy-1-(2,3,4-trimethoxybenzoyl)piperidin-4-amine

• ChemBase ID: 319467
• Molecular Formular: C16H24N2O5
• Molecular Mass: 324.37216
• Monoisotopic Mass: 324.16852188
• SMILES: c1(C(=O)N2C[C@@H]([C@@H](CC2)N)OC)c(c(c(cc1)OC)OC)OC
• Canonical SMILES: CO[C@H]1CN(CC[C@H]1N)C(=O)c1ccc(c(c1OC)OC)OC
• InChI: InChI=1S/C16H24N2O5/c1-20-12-6-5-10(14(22-3)15(12)23-4)16(19)18-8-7-11(17)13(9-18)21-2/h5-6,11,13H,7-9,17H2,1-4H3/t11-,13+/m1/s1
• InChIKey: BTJBTVXKPKVKSW-YPMHNXCESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4R)-3-methoxy-1-(2,3,4-trimethoxybenzoyl)piperidin-4-amine
• IUPAC Traditional name: (3S,4R)-3-methoxy-1-(2,3,4-trimethoxybenzoyl)piperidin-4-amine
• Synonyms: (3S*,4R*)-3-methoxy-1-(2,3,4-trimethoxybenzoyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.0018919
• LogD (pH = 7.4): -1.9093074
• Log P: -0.037765935
• Molar Refractivity: 85.5495 cm^3
• Polarizability: 33.30632 Å^3
• Polar Surface Area: 83.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.64
• LOG S: -2.11
• Polar Surface Area: 83.25 Å^2
• Rotatable Bonds: 5