1-Piperazinecarboxylicacid, 3,3-dimethyl-, phenylmethyl ester (885278-86-4)

The 3,3-Dimethyl-1-piperazinecarboxylic acid benzyl ester with the CAS number 885278-86-4 is 1-Piperazinecarboxylicacid, 3,3-dimethyl-, phenylmethyl ester. The systematic name is benzyl 3,3-dimethylpiperazine-1-carboxylate. Its molecular formula is C₁₄H₂₀N₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3,3-Dimethyl-1-piperazinecarboxylic acid benzyl ester are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 1.92; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 41.57Ų; (9)Index of Refraction: 1.521; (10)Molar Refractivity: 70.12 cm³; (11)Molar Volume: 230.2 cm³; (12)Polarizability: 27.79×10^-24cm³; (13)Surface Tension: 37.8 dyne/cm; (14)Enthalpy of Vaporization: 60.52 kJ/mol; (15)Vapour Pressure: 2.35×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(CN(CCN1)C(=O)OCc2ccccc2)C
(2)InChI: InChI=1/C14H20N2O2/c1-14(2)11-16(9-8-15-14)13(17)18-10-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3
(3)InChIKey: AGXCBFAKAWDODM-UHFFFAOYAQ