2,3-dihydrospiro[indene-1,4'-piperidine]-2-ol

• ChemBase ID: 584132
• Molecular Formular: C13H17NO
• Molecular Mass: 203.28018
• Monoisotopic Mass: 203.13101417
• SMILES: C12(c3c(CC1O)cccc3)CCNCC2
• Canonical SMILES: OC1Cc2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C13H17NO/c15-12-9-10-3-1-2-4-11(10)13(12)5-7-14-8-6-13/h1-4,12,14-15H,5-9H2
• InChIKey: DBCKHYVIUIDGOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydrospiro[indene-1,4'-piperidine]-2-ol
• IUPAC Traditional name: 2,3-dihydrospiro[indene-1,4'-piperidine]-2-ol
• Synonyms: 2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• H Acceptors: 2
• H Donor: 2
• Log P: 1.74
• LOG S: -1.16

JChem

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 14.476745
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.002067
• LogD (pH = 7.4): -1.0823542
• Log P: 1.1972423
• Molar Refractivity: 60.7086 cm^3
• Polarizability: 23.7563 Å^3
• Polar Surface Area: 32.26 Å^2