3-azaspiro[5.5]undecane hydrochloride

• ChemBase ID: 176309
• Molecular Formular: C10H20ClN
• Molecular Mass: 189.7255
• Monoisotopic Mass: 189.12842733
• SMILES: C1CNCCC21CCCCC2.Cl
• Canonical SMILES: C1CCC2(CC1)CCNCC2.Cl
• InChI: InChI=1S/C10H19N.ClH/c1-2-4-10(5-3-1)6-8-11-9-7-10;/h11H,1-9H2;1H
• InChIKey: XDRWSBJRLMRJKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-azaspiro[5.5]undecane hydrochloride
• IUPAC Traditional name: 3-azaspiro[5.5]undecane hydrochloride
• Synonyms: 3-Azaspiro[5.5]undecane hydrochloride; 3-Azaspiro[5.5]undecane Hydrochloride; 4,4-Spiro[pentamethylenepiperidine] Hydrochloride; 4,4-(1,5-Pentanediyl)piperidine Hydrochloride; 4,4-Pentamethylenepiperidine Hydrochloride

Database IDs

• CAS Number: 1125-01-5
• MDL Number: MFCD02093801
• PubChem SID: 164232219
• PubChem CID: 22252831

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.116413
• LogD (pH = 7.4): -0.6433004
• Log P: 2.114534
• Molar Refractivity: 47.8599 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - P271760

A M2 proton channel blocker. Inhibits influenza virus M2 protein (AM2).

REFERENCES

• Gandhi, C., et al.: J. Biol. Chem., 274, 5474 (1999)
• Czabotar, P., et al.: Virus Res., 99, 57 (1999)
• Zoidis, G., et al.: Bioorg. Med. Chem., 14, 3341 (1999)
• Stouffer, A., et al.: Nature, 451, 596 (1999)