N-methyl-2-(piperidin-4-yl)-N-(propan-2-yl)acetamide hydrochloride

• ChemBase ID: 258513
• Molecular Formular: C11H23ClN2O
• Molecular Mass: 234.76612
• Monoisotopic Mass: 234.14989105
• SMILES: C(=O)(N(C(C)C)C)CC1CCNCC1.Cl
• Canonical SMILES: CC(N(C(=O)CC1CCNCC1)C)C.Cl
• InChI: InChI=1S/C11H22N2O.ClH/c1-9(2)13(3)11(14)8-10-4-6-12-7-5-10;/h9-10,12H,4-8H2,1-3H3;1H
• InChIKey: ODWYIZXKQKDDGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(piperidin-4-yl)-N-(propan-2-yl)acetamide hydrochloride
• IUPAC Traditional name: N-isopropyl-N-methyl-2-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: N-methyl-2-(piperidin-4-yl)-N-(propan-2-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD11815777
• PubChem SID: 164314423
• PubChem CID: 42946464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7387745
• LogD (pH = 7.4): -2.0731878
• Log P: 0.48262614
• Molar Refractivity: 58.4334 cm^3
• Polarizability: 22.99533 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 - 188°C
• Hydrophobicity(logP): 0.267

Product Information

• Purity: 95%