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

• ChemBase ID: 803089
• Molecular Formular: C13H18N2O
• Molecular Mass: 218.29482
• Monoisotopic Mass: 218.14191321
• SMILES: C1C2(c3cc(ccc3N1)OC)CCNCC2
• Canonical SMILES: COc1ccc2c(c1)C1(CCNCC1)CN2
• InChI: InChI=1S/C13H18N2O/c1-16-10-2-3-12-11(8-10)13(9-15-12)4-6-14-7-5-13/h2-3,8,14-15H,4-7,9H2,1H3
• InChIKey: ZLEZPHYAAPOMFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-1,2-dihydrospiro[indole-3,4'-piperidine]
• IUPAC Traditional name: 5-methoxy-1,2-dihydrospiro[indole-3,4'-piperidine]
• Synonyms: 5-METHOXY-1,2-DIHYDRO-1'H-SPIRO[INDOLE-3,4'-PIPERIDINE]

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5393965
• LogD (pH = 7.4): -1.6074269
• Log P: 0.9312706
• Molar Refractivity: 66.1245 cm^3
• Polarizability: 25.02507 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%