ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate

• ChemBase ID: 515184
• Molecular Formular: C19H29NO3
• Molecular Mass: 319.43846
• Monoisotopic Mass: 319.21474379
• SMILES: C1(C(=O)OCC)(CCN(CC1)CCc1ccccc1)CCOC
• Canonical SMILES: COCCC1(CCN(CC1)CCc1ccccc1)C(=O)OCC
• InChI: InChI=1S/C19H29NO3/c1-3-23-18(21)19(12-16-22-2)10-14-20(15-11-19)13-9-17-7-5-4-6-8-17/h4-8H,3,9-16H2,1-2H3
• InChIKey: CNEQJHVYXRUHIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate
• Synonyms: ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)-4-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.0045125056
• LogD (pH = 7.4): 1.7144113
• Log P: 2.9861474
• Molar Refractivity: 93.0372 cm^3
• Polarizability: 36.446556 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.99
• LOG S: -2.55
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6