tert-butyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate

• ChemBase ID: 53191
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: C1CN(CCC21CNc1c2cccc1)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC2(CC1)CNc1c2cccc1)OC(C)(C)C
• InChI: InChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-10-8-17(9-11-19)12-18-14-7-5-4-6-13(14)17/h4-7,18H,8-12H2,1-3H3
• InChIKey: AENCMIPDBWGMRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate
• IUPAC Traditional name: tert-butyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate
• Synonyms: tert-Butyl spiro[indoline-3,4'-piperidine]-1'-carboxylate

Database IDs

• CAS Number: 180465-84-3
• MDL Number: MFCD09953258
• PubChem SID: 162057954
• PubChem CID: 11437696

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.361463
• LogD (pH = 7.4): 2.371999
• Log P: 2.372135
• Molar Refractivity: 84.6564 cm^3
• Polarizability: 32.16478 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%