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

• ChemBase ID: 803090
• Molecular Formular: C13H18N2
• Molecular Mass: 202.29542
• Monoisotopic Mass: 202.14699859
• SMILES: C1C2(c3cc(ccc3N1)C)CCNCC2
• Canonical SMILES: Cc1ccc2c(c1)C1(CCNCC1)CN2
• InChI: InChI=1S/C13H18N2/c1-10-2-3-12-11(8-10)13(9-15-12)4-6-14-7-5-13/h2-3,8,14-15H,4-7,9H2,1H3
• InChIKey: UWECUYOWNPNWRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]
• IUPAC Traditional name: 5-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]
• Synonyms: 5-METHYLSPIRO[INDOLINE-3,4'-PIPERIDINE]

Database IDs

• CAS Number: 944905-39-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6916902
• LogD (pH = 7.4): -0.94914186
• Log P: 1.6023632
• Molar Refractivity: 64.7025 cm^3
• Polarizability: 24.293823 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%