(1-(3-Phenylpyrazin-2-yl)piperidin-4-yl)methanamine (1069473-58-0)

The (1-(3-Phenylpyrazin-2-yl)piperidin-4-yl)methanamine, with the CAS registry number 1069473-58-0, is also known as 4-Piperidinemethanamine, 1-(3-phenyl-2-pyrazinyl)-. This chemical's molecular formula is C₁₆H₂₀N₄ and formula weight is 268.36. What's more, both its IUPAC name and systematic name are the same which is called [1-(3-Phenylpyrazin-2-yl)piperidin-4-yl]methanamine.

Physical properties about this chemical are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.04 Å²; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 80.07 cm³; (9)Molar Volume: 238.1 cm³; (10)Surface Tension: 49.4 dyne/cm; (11)Density: 1.126 g/cm³; (12)Flash Point: 225.5 °C; (13)Enthalpy of Vaporization: 70.79 kJ/mol; (14)Boiling Point: 449.2 °C at 760 mmHg; (15)Vapour Pressure: 2.91E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCC1CN)C2=NC=CN=C2C3=CC=CC=C3
(2)InChI: InChI=1S/C16H20N4/c17-12-13-6-10-20(11-7-13)16-15(18-8-9-19-16)14-4-2-1-3-5-14/h1-5,8-9,13H,6-7,10-12,17H2
(3)InChIKey: WDSGXROHQKKIID-UHFFFAOYSA-N