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209808-06-0

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Basic Information
CAS No.: 209808-06-0
Name: 1-BOC-4-(4-CHLORO-BENZOYL)-PIPERIDINE
Article Data: 17
Molecular Structure:
Molecular Structure of 209808-06-0 (1-BOC-4-(4-CHLORO-BENZOYL)-PIPERIDINE)
Formula: C17H22ClNO3
Molecular Weight: 323.82
Synonyms: 1,1-Dimethylethyl4-[(4-chlorophenyl)carbonyl]-1-piperidinecarboxylate;4-(4-Chlorobenzoyl)piperidine-1-carboxylicacid tert-butyl ester;N-tert-Butoxycarbonyl-4-(4-chlorobenzoyl)piperidine;tert-Butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate;
Density: 1.183g/cm3
Boiling Point: 437.443 °C at 760 mmHg
Flash Point: 218.358 °C
PSA: 46.61000
LogP: 4.10770
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Specification

The 1-Piperidinecarboxylicacid, 4-(4-chlorobenzoyl)-, 1,1-dimethylethyl ester, with CAS registry number 209808-06-0, has the systematic name of tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate. Besides this, it is also called 1-Boc-4-(4-chloro-benzoyl)-piperidine. And the chemical formula of this chemical is C17H22ClNO3.

Physical properties of 1-Piperidinecarboxylicacid, 4-(4-chlorobenzoyl)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 335; (6)ACD/BCF (pH 7.4): 335; (7)ACD/KOC (pH 5.5): 2233; (8)ACD/KOC (pH 7.4): 2233; (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: 1.541; (14)Molar Refractivity: 85.98 cm3; (15)Molar Volume: 273.663 cm3; (16)Polarizability: 34.085×10-24cm3; (17)Surface Tension: 43.615 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 218.358 °C; (20)Enthalpy of Vaporization: 69.406 kJ/mol; (21)Boiling Point: 437.443 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(=O)C2CCN(C(=O)OC(C)(C)C)CC2
(2)InChI: InChI=1/C17H22ClNO3/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: UGKNVKLWKSPWPH-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C17H22ClNO3/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: UGKNVKLWKSPWPH-UHFFFAOYSA-N