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883106-74-9

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Basic Information
CAS No.: 883106-74-9
Name: PIPERIDINE-3-CARBOXYLIC ACID (6-METHYL-PYRIDIN-2-YL)-AMIDE
Molecular Structure:
Molecular Structure of 883106-74-9 (PIPERIDINE-3-CARBOXYLIC ACID (6-METHYL-PYRIDIN-2-YL)-AMIDE)
Formula: C12H17N3O
Molecular Weight: 219.286
Synonyms: Reaxys ID: 10436665;N-(6-Methylpyridin-2-yl)piperidine-3-carboxamide;3-Piperidinecarboxamide, N-(6-methyl-2-pyridinyl)-;PIPERIDINE-3-CARBOXYLIC ACID (6-METHYL-PYRIDIN-2-YL)-AMIDE
Density: 1.151 g/cm3
Boiling Point: 424.698 °C at 760 mmHg
Flash Point: 210.65 °C
PSA: 54.02000
LogP: 1.72990
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Specification

The N-(6-Methylpyridin-2-yl)piperidine-3-carboxamide, with CAS registry number 883106-74-9, has the systematic name of N-(6-methyl-2-pyridyl)piperidine-3-carboxamide. Besides this, it is also called Piperidine-3-carboxylic acid (6-methyl-pyridin-2-yl)-amide. And the chemical formula of this chemical is C12H17N3O.

Physical properties of N-(6-Methylpyridin-2-yl)piperidine-3-carboxamide: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.065; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.02 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 63.076 cm3; (13)Molar Volume: 190.577 cm3; (14)Polarizability: 25.005×10-24cm3; (15)Surface Tension: 50.49 dyne/cm; (16)Density: 1.151 g/cm3; (17)Flash Point: 210.65 °C; (18)Enthalpy of Vaporization: 67.923 kJ/mol; (19)Boiling Point: 424.698 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(n1)NC(=O)C2CCCNC2
(2)InChI: InChI=1/C12H17N3O/c1-9-4-2-6-11(14-9)15-12(16)10-5-3-7-13-8-10/h2,4,6,10,13H,3,5,7-8H2,1H3,(H,14,15,16)
(3)InChIKey: UQZKVMVFUAGCDX-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H17N3O/c1-9-4-2-6-11(14-9)15-12(16)10-5-3-7-13-8-10/h2,4,6,10,13H,3,5,7-8H2,1H3,(H,14,15,16)
(5)Std. InChIKey: UQZKVMVFUAGCDX-UHFFFAOYSA-N