The Ethanone, 1-(4-hydroxy-1-piperidinyl)-, with the CAS registry number 4045-22-1, is also known as 1-(4-Hydroxypiperidin-1-yl)ethanone. This chemical's molecular formula is C7H13NO2 and molecular weight is 143.185. What's more, its systematic name is called 1-Acetylpiperidin-4-ol.
Physical properties about Ethanone, 1-(4-hydroxy-1-piperidinyl)- are: (1)ACD/LogP: -0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.54 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 37.421 cm3; (15)Molar Volume: 125.754 cm3; (16)Surface Tension: 45.848 dyne/cm; (17)Density: 1.139 g/cm3; (18)Flash Point: 134.854 °C; (19)Enthalpy of Vaporization: 62.565 kJ/mol; (20)Boiling Point: 299.369 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC1CCN(CC1)C(=O)C
(2) InChI: InChI=1/C7H13NO2/c1-6(9)8-4-2-7(10)3-5-8/h7,10H,2-5H2,1H3
(3) InChIKey: KZPIFQYDCVCSDS-UHFFFAOYAX
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