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160296-40-2

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Basic Information
CAS No.: 160296-40-2
Name: TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE
Article Data: 17
Molecular Structure:
Molecular Structure of 160296-40-2 (TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE)
Formula: C17H22FNO3
Molecular Weight: 307.365
Synonyms: 1-(tert-Butoxycarbonyl)-4-(p-fluorobenzoyl)piperidine;4-(4-Fluorobenzoyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester;4-(4-Fluorobenzoyl)piperidine-1-carboxylic acid tert-butyl ester;
Density: 1.155g/cm3
Melting Point: 89 °C
Boiling Point: 410.4 °C at 760 mmHg
Flash Point: 202 °C
PSA: 46.61000
LogP: 3.59340
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Specification

The tert-Butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate, with CAS registry number 160296-40-2, has the systematic name of tert-butyl 4-[(4-fluorophenyl)carbonyl]piperidine-1-carboxylate. Besides this, it is also called 1-piperidinecarboxylic acid, 4-(4-fluorobenzoyl)-, 1,1-dimethylethyl ester. And the chemical formula of this chemical is C17H22FNO3.

Physical properties of tert-Butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 111.17; (6)ACD/BCF (pH 7.4): 111.17; (7)ACD/KOC (pH 5.5): 1014.21; (8)ACD/KOC (pH 7.4): 1014.21; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 81.07 cm3; (15)Molar Volume: 265.9 cm3; (16)Polarizability: 32.14×10-24cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Enthalpy of Vaporization: 66.27 kJ/mol; (19)Vapour Pressure: 6.03E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(=O)C2CCN(C(=O)OC(C)(C)C)CC2
(2)InChI: InChI=1/C17H22FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3
(3)InChIKey: ARCRECZRQVSYIP-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C17H22FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3
(5)Std. InChIKey: ARCRECZRQVSYIP-UHFFFAOYSA-N