1'-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4'-piperidine]

• ChemBase ID: 127991
• Molecular Formular: C21H25N
• Molecular Mass: 291.4299
• Monoisotopic Mass: 291.19869981
• SMILES: c1ccccc1CN1CCC2(CC1)CCCc1c2cccc1
• Canonical SMILES: c1ccc(cc1)CN1CCC2(CC1)CCCc1c2cccc1
• InChI: InChI=1S/C21H25N/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21/h1-5,7-9,11H,6,10,12-17H2
• InChIKey: MLDCBJPLHBPJET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4'-piperidine]
• IUPAC Traditional name: 1'-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4'-piperidine]
• Synonyms: L-687,384

Database IDs

• CAS Number: 95417-67-7
• PubChem SID: 162222307
• PubChem CID: 125328
• Wikipedia Title: L-687,384

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0043662
• LogD (pH = 7.4): 3.7285042
• Log P: 4.980143
• Molar Refractivity: 93.7014 cm^3
• Polarizability: 36.512417 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true