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| CAS No.: | 37586-22-4 |
|---|---|
| Name: | 4-BENZOYLPIPERIDINE HYDROCHLORIDE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C12H15NO |
| Molecular Weight: | 189.257 |
| Synonyms: | 4-benzoylpiperidine;4-benzoypiperidine;phenyl(piperidin-4-yl)methanone;methanone, phenyl-4-piperidinyl-;phenyl(piperidin-4-yl)methanone;4- (4-Fluorobenzoyl)-piperidine;Phenyl-piperidin-4-yl-methanone; |
| Density: | 1.054 g/cm3 |
| Melting Point: | 226 °C |
| Boiling Point: | 310.7 °C at 760 mmHg |
| Flash Point: | 125.3 °C |
| Appearance: | White solid |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 29.10000 |
| LogP: | 2.19770 |
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- Total:36 Page 1 of 1 1
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Specification
The Phenyl-(4-piperidyl)methanone, with the CAS registry number 37586-22-4, has the systematic name of phenyl(piperidin-4-yl)methanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C12H15NO.
The characteristics of Phenyl-(4-piperidyl)methanone with phosphorothioic acid are as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 56.05 cm3; (9)Molar Volume: 179.5 cm3; (10)Polarizability: 22.22×10-24cm3; (11)Surface Tension: 40.4 dyne/cm; (12)Density: 1.054 g/cm3; (13)Flash Point: 125.3 °C; (14)Enthalpy of Vaporization: 55.16 kJ/mol; (15)Boiling Point: 310.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000589 mmHg at 25°C.
Uses of Phenyl-(4-piperidyl)methanone: It can react with 2-iodo-ethanol to produce 4-benzoyl-1-(2-hydroxyethyl)piperidine. This reaction will need reagent K2CO3, and the menstruum acetonitrile. The reaction time is 16 hours with heating, and the yield is about 92%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccccc1)C2CCNCC2
(2)InChI: InChI=1/C12H15NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-5,11,13H,6-9H2
(3)InChIKey: DDRCHUGHUHZNKZ-UHFFFAOYAY