spiro[indene-1,4'-piperidine]

• ChemBase ID: 287497
• Molecular Formular: C13H15N
• Molecular Mass: 185.2649
• Monoisotopic Mass: 185.12044949
• SMILES: c12c(C3(CCNCC3)C=C1)cccc2
• Canonical SMILES: N1CCC2(CC1)C=Cc1c2cccc1
• InChI: InChI=1S/C13H15N/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13/h1-6,14H,7-10H2
• InChIKey: QXNXVWNYCKUANQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: spiro[indene-1,4'-piperidine]
• IUPAC Traditional name: spiro[indene-1,4'-piperidine]
• Synonyms: Spiro[indene-1,4'-piperidine]; Spiro[1H-indene-1,4'-piperidine]

Database IDs

• CAS Number: 33042-66-9
• MDL Number: MFCD08705802
• PubChem SID: 180673028
• PubChem CID: 10330052

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0719048
• LogD (pH = 7.4): -0.3958693
• Log P: 2.1488316
• Molar Refractivity: 60.3097 cm^3
• Polarizability: 23.185919 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%