The Pelletierine, with the CAS registry number 2858-66-4, is also known as 1-[(2R)-Piperidin-2-yl]acetone. Its EINECS registry number is 220-673-6. This chemical's molecular formula is C₈H₁₅NO and molecular weight is 141.2108. Its systematic name is called 1-[(2R)-piperidin-2-yl]propan-2-one. This chemical's classification code is Natural Product.

Physical properties of Pelletierine: (1)ACD/LogP: 0.45; (2)ACD/LogD (pH 5.5): -2.64; (3)ACD/LogD (pH 7.4): -2.37; (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: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.438; (12)Molar Refractivity: 40.39 cm³; (13)Molar Volume: 153.6 cm³; (14)Surface Tension: 30.7 dyne/cm; (15)Density: 0.918 g/cm³; (16)Flash Point: 74.2 °C; (17)Enthalpy of Vaporization: 43.12 kJ/mol; (18)Boiling Point: 195 °C at 760 mmHg; (19)Vapour Pressure: 0.429 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C[C@@H]1NCCCC1)C
(2)InChI: InChI=1/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3/t8-/m1/s1
(3)InChIKey: JEIZLWNUBXHADF-MRVPVSSYBH

The toxicity data is as follows: