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

• ChemBase ID: 309182
• Molecular Formular: C12H16N2
• Molecular Mass: 188.26884
• Monoisotopic Mass: 188.13134852
• SMILES: N1c2c(C3(C1)CCNCC3)cccc2
• Canonical SMILES: N1CCC2(CC1)CNc1c2cccc1
• InChI: InChI=1S/C12H16N2/c1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h1-4,13-14H,5-9H2
• InChIKey: JHMKGUPCKJSSEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dihydrospiro[indole-3,4'-piperidine]
• IUPAC Traditional name: 1,2-dihydrospiro[indole-3,4'-piperidine]
• Synonyms: 1,2-DIHYDRO-1'H-SPIRO[INDOLE-3,4'-PIPERIDINE]; 1,2-dihydrospiro[indole-3,4'-piperidine]

Database IDs

• CAS Number: 171-75-5
• MDL Number: MFCD10696309

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1601424
• LogD (pH = 7.4): -1.4603721
• Log P: 1.0889419
• Molar Refractivity: 59.6613 cm^3
• Polarizability: 22.528502 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%