2,2-dimethyl-N-(piperidin-3-yl)propanamide

• ChemBase ID: 268978
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(NC1CNCCC1)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)NC1CCCNC1
• InChI: InChI=1S/C10H20N2O/c1-10(2,3)9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)
• InChIKey: LIWLHRSKINQNMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-(piperidin-3-yl)propanamide
• IUPAC Traditional name: 2,2-dimethyl-N-(piperidin-3-yl)propanamide
• Synonyms: 2,2-dimethyl-N-(piperidin-3-yl)propanamide

Database IDs

• MDL Number: MFCD09814723
• PubChem SID: 164324888
• PubChem CID: 20118684

CALCULATED PROPERTIES

• Acid pKa: 16.10134
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0816658
• LogD (pH = 7.4): -1.0018568
• Log P: 1.0940853
• Molar Refractivity: 53.0006 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 0.801

Product Information

• Purity: 95%