2',2',6',6'-tetramethyl-3H-spiro[1-benzofuran-2,4'-piperidine]

• ChemBase ID: 805365
• Molecular Formular: C16H23NO
• Molecular Mass: 245.35992
• Monoisotopic Mass: 245.17796436
• SMILES: O1C2(Cc3ccccc13)CC(NC(C2)(C)C)(C)C
• Canonical SMILES: CC1(C)NC(C)(C)CC2(C1)Cc1c(O2)cccc1
• InChI: InChI=1S/C16H23NO/c1-14(2)10-16(11-15(3,4)17-14)9-12-7-5-6-8-13(12)18-16/h5-8,17H,9-11H2,1-4H3
• InChIKey: PQFWZTGONNBBGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2',2',6',6'-tetramethyl-3H-spiro[1-benzofuran-2,4'-piperidine]
• IUPAC Traditional name: 2',2',6',6'-tetramethyl-3H-spiro[1-benzofuran-2,4'-piperidine]
• Synonyms: 3H-SPIRO[1-BENZOFURAN-2,4'-(2,2,6,6-TETRAMETHYLPIPERIDINE)]

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.40891153
• LogD (pH = 7.4): 0.17091073
• Log P: 2.8172934
• Molar Refractivity: 73.9908 cm^3
• Polarizability: 29.434948 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%