3-Acetamidopiperidine

The CAS register number of 3-Acetamidopiperidine is 5810-55-9. It also can be called as 3-Acetamidopiperidine and the systematic name about this chemical is N-piperidin-3-ylacetamide. The molecular formula about this chemical is C₇H₁₄N₂O and the molecular weight is 142.2.

Physical properties about 3-Acetamidopiperidine are: (1)ACD/LogP: -0.80; (2)ACD/LogD (pH 5.5): -3.87; (3)ACD/LogD (pH 7.4): -3.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 23.55Ų; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 39.8 cm³; (14)Molar Volume: 139 cm³; (15)Polarizability: 15.78x10^-24cm³; (16)Surface Tension: 35.8 dyne/cm; (17)Enthalpy of Vaporization: 56 kJ/mol; (18)Boiling Point: 318.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000361 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-acetylamino-piperidine-1-carboxylic acid tert-butyl ester at ambient temperature. This reaction will need reagent trifluoroacetic acid . The reaction time is 40 min. The yield is about 72%.

Uses:Uses of 3-Acetamidopiperidine: it can be used to produce N-(1-benzyl-piperidin-3-yl)-acetamide with chloromethyl-benzene at ambient temperature. This reaction will need reagent NaHCO₃ and solvent dimethylformamide with reaction time of 15 hours. The yield is about 78%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC1CCCNC1)C
(2)InChI: InChI=1/C7H14N2O/c1-6(10)9-7-3-2-4-8-5-7/h7-8H,2-5H2,1H3,(H,9,10)
(3)InChIKey: BCXSCZDWARFWAW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H14N2O/c1-6(10)9-7-3-2-4-8-5-7/h7-8H,2-5H2,1H3,(H,9,10)
(5)Std. InChIKey: BCXSCZDWARFWAW-UHFFFAOYSA-N