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

• ChemBase ID: 66983
• Molecular Formular: C13H18N2
• Molecular Mass: 202.29542
• Monoisotopic Mass: 202.14699859
• SMILES: N1CC2(c3ccccc13)CCN(CC2)C
• Canonical SMILES: CN1CCC2(CC1)CNc1c2cccc1
• InChI: InChI=1S/C13H18N2/c1-15-8-6-13(7-9-15)10-14-12-5-3-2-4-11(12)13/h2-5,14H,6-10H2,1H3
• InChIKey: NPUZJRBPYOYUMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]
• IUPAC Traditional name: 1'-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]
• Synonyms: 1,2-Dihydro-1'-methylspiro[3H-indole-3,4'-piperidine]; 1,2-Dihydro-1'-methylspiro-[3H-indole-3,4'-piperidine]

Database IDs

• CAS Number: 69584-91-4
• MDL Number: MFCD12198567
• PubChem SID: 162032719
• PubChem CID: 12801587

CALCULATED PROPERTIES

• Log P: 1.4719899
• Molar Refractivity: 64.956 cm^3
• Polarizability: 24.37472 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8464466
• LogD (pH = 7.4): -0.3866082

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%