The 1,3-Piperidinedicarboxylic acid, 5-hydroxy-, 1-(1,1-dimethylethyl) 3-methyl ester, with the CAS registry number 1095010-47-1, is also known as Methyl 1-Boc-5-Hydroxypiperidine-3-carboxylate. This chemical's molecular formula is C12H21NO5 and molecular weight is 259.3. What's more, its systematic name is O1-tert-butyl O3-methyl 5-hydroxypiperidine-1,3-dicarboxylate.
Physical properties of 1,3-Piperidinedicarboxylic acid, 5-hydroxy-, 1-(1,1-dimethylethyl) 3-methyl ester are: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): 0.28; (5)#H bond acceptors: 6; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 76.07 Å2; (9)Index of Refraction: 1.495; (10)Molar Refractivity: 63.98 cm3; (11)Molar Volume: 219.2 cm3; (12)Polarizability: 25.36×10-24cm3; (13)Surface Tension: 44.9 dyne/cm; (14)Density: 1.182 g/cm3; (15)Flash Point: 166.8 °C; (16)Enthalpy of Vaporization: 69.12 kJ/mol; (17)Boiling Point: 352.1 °C at 760 mmHg; (18)Vapour Pressure: 2.3E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC(CC(C1)O)C(=O)OC
(2)InChI: InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-8(10(15)17-4)5-9(14)7-13/h8-9,14H,5-7H2,1-4H3
(3)InChIKey: DFZMPKMSTNKZKL-UHFFFAOYSA-N
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