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

• ChemBase ID: 53192
• Molecular Formular: C19H22N2
• Molecular Mass: 278.39138
• Monoisotopic Mass: 278.17829871
• SMILES: c1cccc2c1NCC12CCN(CC1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCC2(CC1)CNc1c2cccc1
• InChI: InChI=1S/C19H22N2/c1-2-6-16(7-3-1)14-21-12-10-19(11-13-21)15-20-18-9-5-4-8-17(18)19/h1-9,20H,10-15H2
• InChIKey: OFCNNQTXJKPKSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-benzyl-1,2-dihydrospiro[indole-3,4'-piperidine]
• IUPAC Traditional name: 1'-benzyl-1,2-dihydrospiro[indole-3,4'-piperidine]
• Synonyms: 1'-Benzylspiro[indoline-3,4'-piperidine]; 1,2-Dihydro-1'-(phenylMethyl)-spiro[3h-indole-3,4'-piperidine]

Database IDs

• CAS Number: 474538-99-3
• MDL Number: MFCD04108106
• PubChem SID: 162057955
• PubChem CID: 16641028

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.15401044
• LogD (pH = 7.4): 1.8910729
• Log P: 3.1964629
• Molar Refractivity: 89.5686 cm^3
• Polarizability: 34.008366 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%