N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)acetamide dihydrochloride

• ChemBase ID: 260464
• Molecular Formular: C10H23Cl2N3O
• Molecular Mass: 272.21512
• Monoisotopic Mass: 271.12181773
• SMILES: N(C(=O)CNC)(C1CCN(CC1)C)C.Cl.Cl
• Canonical SMILES: CNCC(=O)N(C1CCN(CC1)C)C.Cl.Cl
• InChI: InChI=1S/C10H21N3O.2ClH/c1-11-8-10(14)13(3)9-4-6-12(2)7-5-9;;/h9,11H,4-8H2,1-3H3;2*1H
• InChIKey: YZUDBERWAFFQRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)acetamide dihydrochloride
• IUPAC Traditional name: N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)acetamide dihydrochloride
• Synonyms: N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)acetamide dihydrochloride

Database IDs

• MDL Number: MFCD12197217
• PubChem SID: 164316374
• PubChem CID: 45791596

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.9445133
• LogD (pH = 7.4): -3.6524923
• Log P: -1.0476795
• Molar Refractivity: 57.8447 cm^3
• Polarizability: 22.680025 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.946

Product Information

• Purity: 95%