tert-butyl spiro[indene-1,4'-piperidine]-1'-carboxylate

• ChemBase ID: 289013
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: O=C(N1CCC2(CC1)C=Cc1c2cccc1)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC2(CC1)C=Cc1c2cccc1)OC(C)(C)C
• InChI: InChI=1S/C18H23NO2/c1-17(2,3)21-16(20)19-12-10-18(11-13-19)9-8-14-6-4-5-7-15(14)18/h4-9H,10-13H2,1-3H3
• InChIKey: HRTHPQOIDCOMHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl spiro[indene-1,4'-piperidine]-1'-carboxylate
• IUPAC Traditional name: tert-butyl spiro[indene-1,4'-piperidine]-1'-carboxylate
• Synonyms: tert-Butyl spiro[indene-1,4'-piperidine]-1'-carboxylate; tert-butyl 1'H-spiro[indene-1,4'-piperidine]-1'-carboxylate

Database IDs

• CAS Number: 137419-24-0
• MDL Number: MFCD03160565
• PubChem SID: 180674544
• PubChem CID: 3653579

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4320247
• LogD (pH = 7.4): 3.4320247
• Log P: 3.4320247
• Molar Refractivity: 85.3048 cm^3
• Polarizability: 32.7022 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%