1'-(1H-indol-5-ylmethyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-2-ol

• ChemBase ID: 822701
• Molecular Formular: C22H24N2O
• Molecular Mass: 332.43876
• Monoisotopic Mass: 332.1888634
• SMILES: C12(c3c(CC1O)cccc3)CCN(Cc1cc3c([nH]cc3)cc1)CC2
• Canonical SMILES: OC1Cc2c(C31CCN(CC3)Cc1ccc3c(c1)cc[nH]3)cccc2
• InChI: InChI=1S/C22H24N2O/c25-21-14-17-3-1-2-4-19(17)22(21)8-11-24(12-9-22)15-16-5-6-20-18(13-16)7-10-23-20/h1-7,10,13,21,23,25H,8-9,11-12,14-15H2
• InChIKey: MUMZXJLSIQNACJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(1H-indol-5-ylmethyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-2-ol
• IUPAC Traditional name: 1'-(1H-indol-5-ylmethyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-2-ol
• Synonyms: 1'-(1H-indol-5-ylmethyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.471666
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.110975936
• LogD (pH = 7.4): 1.5950836
• Log P: 3.4035254
• Molar Refractivity: 101.7024 cm^3
• Polarizability: 40.46588 Å^3
• Polar Surface Area: 39.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.92
• LOG S: -3.11
• Polar Surface Area: 39.26 Å^2
• Rotatable Bonds: 2