spiro[indene-1,4'-piperidine] hydrochloride

• ChemBase ID: 51297
• Molecular Formular: C13H16ClN
• Molecular Mass: 221.72584
• Monoisotopic Mass: 221.0971272
• SMILES: C1=Cc2c(C31CCNCC3)cccc2.Cl
• Canonical SMILES: N1CCC2(CC1)C=Cc1c2cccc1.Cl
• InChI: InChI=1S/C13H15N.ClH/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;/h1-6,14H,7-10H2;1H
• InChIKey: CNFMPMUITJAJKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 137730-67-7
• MDL Number: MFCD01632538
• PubChem SID: 162056060
• PubChem CID: 22509344

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%