1-ethyl-4-(piperidin-4-yl)piperazine trihydrochloride

• ChemBase ID: 259964
• Molecular Formular: C11H26Cl3N3
• Molecular Mass: 306.70324
• Monoisotopic Mass: 305.11923089
• SMILES: N1(C2CCNCC2)CCN(CC1)CC.Cl.Cl.Cl
• Canonical SMILES: CCN1CCN(CC1)C1CCNCC1.Cl.Cl.Cl
• InChI: InChI=1S/C11H23N3.3ClH/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11;;;/h11-12H,2-10H2,1H3;3*1H
• InChIKey: NPOWUFOCIRMVMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12197083
• PubChem SID: 164315874
• PubChem CID: 42948936

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.926653
• LogD (pH = 7.4): -3.626792
• Log P: 0.03785519
• Molar Refractivity: 60.9432 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 324 - 326°C
• Hydrophobicity(logP): -0.711

Product Information

• Purity: 95%