2-[methyl(piperidin-4-yl)amino]-N-(propan-2-yl)acetamide dihydrochloride

• ChemBase ID: 241609
• Molecular Formular: C11H25Cl2N3O
• Molecular Mass: 286.2417
• Monoisotopic Mass: 285.1374678
• SMILES: C(=O)(CN(C1CCNCC1)C)NC(C)C.Cl.Cl
• Canonical SMILES: CC(NC(=O)CN(C1CCNCC1)C)C.Cl.Cl
• InChI: InChI=1S/C11H23N3O.2ClH/c1-9(2)13-11(15)8-14(3)10-4-6-12-7-5-10;;/h9-10,12H,4-8H2,1-3H3,(H,13,15);2*1H
• InChIKey: WWYBMWAOQCJNJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[methyl(piperidin-4-yl)amino]-N-(propan-2-yl)acetamide dihydrochloride
• IUPAC Traditional name: N-isopropyl-2-[methyl(piperidin-4-yl)amino]acetamide dihydrochloride
• Synonyms: 2-[methyl(piperidin-4-yl)amino]-N-(propan-2-yl)acetamide dihydrochloride

Database IDs

• MDL Number: MFCD22565882
• PubChem SID: 164297519
• PubChem CID: 71756822

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.8183713
• LogD (pH = 7.4): -3.2499697
• Log P: -0.4979726
• Molar Refractivity: 62.1154 cm^3
• Polarizability: 24.521858 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 16.009544

PROPERTIES

Physical Property

• Melting Point: 259 - 261°C
• Hydrophobicity(logP): -0.207

Product Information

• Purity: 95%