2-(4-aminopiperidin-1-yl)-N-(propan-2-yl)acetamide dihydrochloride

• ChemBase ID: 258637
• Molecular Formular: C10H23Cl2N3O
• Molecular Mass: 272.21512
• Monoisotopic Mass: 271.12181773
• SMILES: C(=O)(NC(C)C)CN1CCC(CC1)N.Cl.Cl
• Canonical SMILES: CC(NC(=O)CN1CCC(CC1)N)C.Cl.Cl
• InChI: InChI=1S/C10H21N3O.2ClH/c1-8(2)12-10(14)7-13-5-3-9(11)4-6-13;;/h8-9H,3-7,11H2,1-2H3,(H,12,14);2*1H
• InChIKey: ZNJWZPHXCNPHEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)-N-(propan-2-yl)acetamide dihydrochloride
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)-N-isopropylacetamide dihydrochloride
• Synonyms: 2-(4-aminopiperidin-1-yl)-N-(propan-2-yl)acetamide dihydrochloride

Database IDs

• MDL Number: MFCD11802523
• PubChem SID: 164314547
• PubChem CID: 42937267

CALCULATED PROPERTIES

• Acid pKa: 15.974853
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.089958
• LogD (pH = 7.4): -3.7004077
• Log P: -0.930553
• Molar Refractivity: 57.3408 cm^3
• Polarizability: 22.680025 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 271 - 273°C
• Hydrophobicity(logP): -0.498

Product Information

• Purity: 95%