3-[4-(benzyloxy)piperidine-1-carbonyl]-5,6,7,8-tetrahydroquinoline

• ChemBase ID: 703322
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: c1(C(=O)N2CCC(CC2)OCc2ccccc2)cc2c(nc1)CCCC2
• Canonical SMILES: O=C(c1cnc2c(c1)CCCC2)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C22H26N2O2/c25-22(19-14-18-8-4-5-9-21(18)23-15-19)24-12-10-20(11-13-24)26-16-17-6-2-1-3-7-17/h1-3,6-7,14-15,20H,4-5,8-13,16H2
• InChIKey: FPRYAPBXOJEPCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(benzyloxy)piperidine-1-carbonyl]-5,6,7,8-tetrahydroquinoline
• IUPAC Traditional name: 3-[4-(benzyloxy)piperidine-1-carbonyl]-5,6,7,8-tetrahydroquinoline
• Synonyms: 3-{[4-(benzyloxy)piperidin-1-yl]carbonyl}-5,6,7,8-tetrahydroquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0226035
• LogD (pH = 7.4): 3.0648272
• Log P: 3.065395
• Molar Refractivity: 102.9194 cm^3
• Polarizability: 39.34881 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.18
• LOG S: -4.47
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4