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

• ChemBase ID: 285476
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(NC)CC1CCNCC1
• Canonical SMILES: CNC(=O)CC1CCNCC1
• InChI: InChI=1S/C8H16N2O/c1-9-8(11)6-7-2-4-10-5-3-7/h7,10H,2-6H2,1H3,(H,9,11)
• InChIKey: ARPZPQQZHSZMNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(piperidin-4-yl)acetamide
• IUPAC Traditional name: N-methyl-2-(piperidin-4-yl)acetamide
• Synonyms: N-methyl-2-(piperidin-4-yl)acetamide; N-methyl-2-(4-piperidinyl)acetamide

Database IDs

• CAS Number: 70724-80-0
• MDL Number: MFCD09933326
• PubChem SID: 180671007
• PubChem CID: 20569899

CALCULATED PROPERTIES

• Acid pKa: 16.397362
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.735828
• 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

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): -0.847

Product Information

• Purity: 95%