ethyl 1-[1-(ethoxycarbonyl)piperidin-4-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate

• ChemBase ID: 861697
• Molecular Formular: C19H34N2O5
• Molecular Mass: 370.48366
• Monoisotopic Mass: 370.2467722
• SMILES: N1(C(=O)OCC)CCC(N2CCC(C(=O)OCC)(CC2)CCOC)CC1
• Canonical SMILES: COCCC1(CCN(CC1)C1CCN(CC1)C(=O)OCC)C(=O)OCC
• InChI: InChI=1S/C19H34N2O5/c1-4-25-17(22)19(10-15-24-3)8-13-20(14-9-19)16-6-11-21(12-7-16)18(23)26-5-2/h16H,4-15H2,1-3H3
• InChIKey: YXIJZKRCGQTCSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-[1-(ethoxycarbonyl)piperidin-4-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-[1-(ethoxycarbonyl)piperidin-4-yl]-4-(2-methoxyethyl)piperidine-4-carboxylate
• Synonyms: diethyl 4-(2-methoxyethyl)-1,4'-bipiperidine-1',4-dicarboxylate

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7546376
• LogD (pH = 7.4): -0.02454244
• Log P: 1.2028126
• Molar Refractivity: 99.7641 cm^3
• Polarizability: 39.189964 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 4
• H Acceptors: 6
• H Donor: 0
• Log P: 1.81
• LOG S: -2.88