1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine] trihydrochloride

• ChemBase ID: 119734
• Molecular Formular: C10H19Cl3N4
• Molecular Mass: 301.64366
• Monoisotopic Mass: 300.06752967
• SMILES: c12nc[nH]c2CCNC21CCNCC2.Cl.Cl.Cl
• Canonical SMILES: N1CCC2(CC1)NCCc1c2nc[nH]1.Cl.Cl.Cl
• InChI: InChI=1S/C10H16N4.3ClH/c1-4-14-10(2-5-11-6-3-10)9-8(1)12-7-13-9;;;/h7,11,14H,1-6H2,(H,12,13);3*1H
• InChIKey: RVNIMPJCXPEQTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine] trihydrochloride
• IUPAC Traditional name: 1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine] trihydrochloride
• Synonyms: 1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine] trihydrochloride

Database IDs

• PubChem SID: 162107885
• PubChem CID: 16415058

CALCULATED PROPERTIES

• Acid pKa: 12.96052
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -5.1733756
• LogD (pH = 7.4): -3.3383431
• Log P: -0.90231
• Molar Refractivity: 55.2323 cm^3
• Polarizability: 21.544865 Å^3
• Polar Surface Area: 52.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 3 HCl
• Classification: Derivatives & analogs of Natural Compounds