1-{[3-(morpholin-4-yl)piperidin-1-yl]methyl}naphthalen-2-ol

• ChemBase ID: 544822
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: c1(c2c(ccc1O)cccc2)CN1CC(N2CCOCC2)CCC1
• Canonical SMILES: Oc1ccc2c(c1CN1CCCC(C1)N1CCOCC1)cccc2
• InChI: InChI=1S/C20H26N2O2/c23-20-8-7-16-4-1-2-6-18(16)19(20)15-21-9-3-5-17(14-21)22-10-12-24-13-11-22/h1-2,4,6-8,17,23H,3,5,9-15H2
• InChIKey: WTXWVINXDFLKRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[3-(morpholin-4-yl)piperidin-1-yl]methyl}naphthalen-2-ol
• IUPAC Traditional name: 1-{[3-(morpholin-4-yl)piperidin-1-yl]methyl}naphthalen-2-ol
• Synonyms: 1-{[3-(4-morpholinyl)-1-piperidinyl]methyl}-2-naphthol

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 3.01
• LOG S: -1.64
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 1

JChem

• Molar Refractivity: 97.3366 cm^3
• Polarizability: 39.182323 Å^3
• Polar Surface Area: 35.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 7.844466
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4570652
• LogD (pH = 7.4): 0.9500206
• Log P: 1.4845076