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

• ChemBase ID: 37128
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(NC)CC1CCNCC1.Cl
• Canonical SMILES: CNC(=O)CC1CCNCC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-9-8(11)6-7-2-4-10-5-3-7;/h7,10H,2-6H2,1H3,(H,9,11);1H
• InChIKey: JBFGMCLJDVAIMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12028098
• PubChem SID: 161000435
• PubChem CID: 44120457

CALCULATED PROPERTIES

• Acid pKa: 16.397362
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7358294
• LogD (pH = 7.4): -3.070247
• Log P: -0.5144329
• Molar Refractivity: 44.3693 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false