tert-butyl 2-benzyl-2,8-diazaspiro[4.5]decane-8-carboxylate

• ChemBase ID: 294207
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: O=C(N1CCC2(CC1)CCN(Cc1ccccc1)C2)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC2(CC1)CCN(C2)Cc1ccccc1)OC(C)(C)C
• InChI: InChI=1S/C20H30N2O2/c1-19(2,3)24-18(23)22-13-10-20(11-14-22)9-12-21(16-20)15-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
• InChIKey: FEUXMFWOKQLQBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-benzyl-2,8-diazaspiro[4.5]decane-8-carboxylate
• IUPAC Traditional name: tert-butyl 2-benzyl-2,8-diazaspiro[4.5]decane-8-carboxylate
• Synonyms: 8-Boc-2-benzyl-2,8-diaza-spiro[4.5]decane

Database IDs

• CAS Number: 236406-40-9
• MDL Number: MFCD11044475
• PubChem SID: 180679738
• PubChem CID: 23282870

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.17644851
• LogD (pH = 7.4): 1.1147908
• Log P: 3.2066627
• Molar Refractivity: 97.2367 cm^3
• Polarizability: 38.081173 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%