1-methyl-4-(piperidine-4-carbonyl)piperazine dihydrochloride

• ChemBase ID: 66374
• Molecular Formular: C11H23Cl2N3O
• Molecular Mass: 284.22582
• Monoisotopic Mass: 283.12181773
• SMILES: C(=O)(C1CCNCC1)N1CCN(CC1)C.Cl.Cl
• Canonical SMILES: CN1CCN(CC1)C(=O)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H21N3O.2ClH/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;;/h10,12H,2-9H2,1H3;2*1H
• InChIKey: JYYMLZLAIOASOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(piperidine-4-carbonyl)piperazine dihydrochloride
• IUPAC Traditional name: 1-methyl-4-(piperidine-4-carbonyl)piperazine dihydrochloride
• Synonyms: (4-Methylpiperazin-1-yl)piperidin-4-yl-methanone dihydrochloride

Database IDs

• CAS Number: 63214-56-2
• MDL Number: MFCD05864745
• PubChem SID: 162032112
• PubChem CID: 45036889

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.3034925
• LogD (pH = 7.4): -3.401283
• Log P: -0.63223875
• Molar Refractivity: 60.741 cm^3
• Polarizability: 23.793373 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%