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

• ChemBase ID: 805366
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: O1C2(Cc3ccccc13)CCCNC2
• Canonical SMILES: C1CCC2(CN1)Cc1c(O2)cccc1
• InChI: InChI=1S/C12H15NO/c1-2-5-11-10(4-1)8-12(14-11)6-3-7-13-9-12/h1-2,4-5,13H,3,6-9H2
• InChIKey: NWVKCARSJJXIPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3H-spiro[1-benzofuran-2,3'-piperidine]
• IUPAC Traditional name: 3H-spiro[1-benzofuran-2,3'-piperidine]
• Synonyms: 2,3-DIHYDROSPIRO(BENZOFURAN-2,3'-PIPERIDINE)

Database IDs

• CAS Number: 89466-84-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3076324
• LogD (pH = 7.4): -0.3026738
• Log P: 1.8803929
• Molar Refractivity: 55.656 cm^3
• Polarizability: 22.05253 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%