1-(piperidin-4-yl)piperazine trihydrochloride

• ChemBase ID: 289699
• Molecular Formular: C9H22Cl3N3
• Molecular Mass: 278.65008
• Monoisotopic Mass: 277.08793076
• SMILES: Cl.Cl.Cl.N1(C2CCNCC2)CCNCC1
• Canonical SMILES: N1CCN(CC1)C1CCNCC1.Cl.Cl.Cl
• InChI: InChI=1S/C9H19N3.3ClH/c1-3-10-4-2-9(1)12-7-5-11-6-8-12;;;/h9-11H,1-8H2;3*1H
• InChIKey: TUMYQEJJJPWPSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)piperazine trihydrochloride
• IUPAC Traditional name: 1-(piperidin-4-yl)piperazine trihydrochloride
• Synonyms: 1-(Piperidin-4-yl)piperazine trihydrochloride

Database IDs

• CAS Number: 1217074-64-0
• PubChem SID: 180675230
• PubChem CID: 53326961

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.0423813
• LogD (pH = 7.4): -5.1948905
• Log P: -0.7020007
• Molar Refractivity: 50.8999 cm^3
• Polarizability: 20.440634 Å^3
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%