2-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 255878
• Molecular Formular: C11H21ClN2O
• Molecular Mass: 232.75024
• Monoisotopic Mass: 232.13424098
• SMILES: N1C(CC(NC(=O)CCl)CC1(C)C)(C)C
• Canonical SMILES: ClCC(=O)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C11H21ClN2O/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14-10/h8,14H,5-7H2,1-4H3,(H,13,15)
• InChIKey: QIPFOZDVGCESRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• Synonyms: 2-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

Database IDs

• MDL Number: MFCD00562814
• PubChem SID: 164311788
• PubChem CID: 3409402

CALCULATED PROPERTIES

• Acid pKa: 13.56646
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4635215
• LogD (pH = 7.4): -2.027073
• Log P: 0.7687931
• Molar Refractivity: 62.3862 cm^3
• Polarizability: 24.826952 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61 - 63°C
• Hydrophobicity(logP): 1.223

Product Information

• Purity: 95%