1-methyl-4-(4-methylpiperidin-4-yl)piperazine trihydrochloride

• ChemBase ID: 66603
• Molecular Formular: C11H26Cl3N3
• Molecular Mass: 306.70324
• Monoisotopic Mass: 305.11923089
• SMILES: N1(CCN(CC1)C1(CCNCC1)C)C.Cl.Cl.Cl
• Canonical SMILES: CN1CCN(CC1)C1(C)CCNCC1.Cl.Cl.Cl
• InChI: InChI=1S/C11H23N3.3ClH/c1-11(3-5-12-6-4-11)14-9-7-13(2)8-10-14;;;/h12H,3-10H2,1-2H3;3*1H
• InChIKey: CZXXPXBSIHHBRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(4-methylpiperidin-4-yl)piperazine trihydrochloride
• IUPAC Traditional name: 1-methyl-4-(4-methylpiperidin-4-yl)piperazine trihydrochloride
• Synonyms: 1-Methyl-4-(4-methylpiperidin-4-yl)piperazine trihydrochloride

Database IDs

• CAS Number: 1208089-44-4
• MDL Number: MFCD09753042
• PubChem SID: 162032340
• PubChem CID: 46738260

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.834367
• LogD (pH = 7.4): -3.5341465
• Log P: -0.038376097
• Molar Refractivity: 60.8328 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%