1-METHYL-2-PIPERIDONE

The 2-Piperidinone,1-methyl-, with CAS registry number 931-20-4, belongs to the following product categories: (1)API intermediates; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Piperidones. It has the systematic name of 1-methylpiperidin-2-one. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C₆H₁₁NO.

Physical properties of 2-Piperidinone,1-methyl-: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.34; (8)ACD/KOC (pH 7.4): 29.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 31.46 cm³; (15)Molar Volume: 114 cm³; (16)Polarizability: 12.47×10^-24cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.992 g/cm³; (19)Flash Point: 91.1 °C; (20)Enthalpy of Vaporization: 46.43 kJ/mol; (21)Boiling Point: 227.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0762 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-methyl-1H-pyridin-2-one. This reaction will need reagents platinum, acetic acid.

Uses of 2-Piperidinone,1-methyl-: it can be used to produce 1-methyl-piperidine-2-thione. This reaction will need reagents benzene, phosphorus (V)-sulfide.

When you are using this chemical, please be cautious about it as the following:
The 2-Piperidinone,1-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(C)CCCC1
(2)InChI: InChI=1/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H3
(3)InChIKey: GGYVTHJIUNGKFZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H3
(5)Std. InChIKey: GGYVTHJIUNGKFZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 1gm/kg (1000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Pharmaceutical Sciences. Vol. 60, Pg. 1058, 1971.