4-(4-{1,2-dihydrospiro[indole-3,4'-piperidine]-1'-ylmethyl}phenyl)-2-methylbutan-2-ol

• ChemBase ID: 373691
• Molecular Formular: C24H32N2O
• Molecular Mass: 364.52368
• Monoisotopic Mass: 364.25146365
• SMILES: N1c2c(C3(C1)CCN(Cc1ccc(CCC(O)(C)C)cc1)CC3)cccc2
• Canonical SMILES: CC(CCc1ccc(cc1)CN1CCC2(CC1)CNc1c2cccc1)(O)C
• InChI: InChI=1S/C24H32N2O/c1-23(2,27)12-11-19-7-9-20(10-8-19)17-26-15-13-24(14-16-26)18-25-22-6-4-3-5-21(22)24/h3-10,25,27H,11-18H2,1-2H3
• InChIKey: FFZFKFWPVYOFCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-{1,2-dihydrospiro[indole-3,4'-piperidine]-1'-ylmethyl}phenyl)-2-methylbutan-2-ol
• IUPAC Traditional name: 4-(4-{1,2-dihydrospiro[indole-3,4'-piperidine]-1'-ylmethyl}phenyl)-2-methylbutan-2-ol
• Synonyms: 4-[4-(1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-ylmethyl)phenyl]-2-methyl-2-butanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.385124
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8576498
• LogD (pH = 7.4): 2.6101978
• Log P: 3.8594947
• Molar Refractivity: 114.7975 cm^3
• Polarizability: 43.735012 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.38
• LOG S: -3.74
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 5