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1-Piperidinecarboxylicacid, 4-(4-aminophenoxy)-, 1,1-dimethylethyl ester (138227-63-1)

Identification
Name:1-Piperidinecarboxylicacid, 4-(4-aminophenoxy)-, 1,1-dimethylethyl ester
Synonyms:1-[(N-tert-Butoxycarbonyl-4-piperidinyl)oxy]-4-aminobenzene;4-(1-tert-Butoxycarbonylpiperidin-4-yloxy)aniline;4-(4-Aminophenoxy)-1-(tert-butoxycarbonyl)piperidine;4-(4-Aminophenoxy)piperidine-1-carboxylic acid tert-butyl ester;4-[(1-tert-Butoxycarbonyl-4-piperidyl)oxy]aniline;
CAS:138227-63-1
Molecular Formula: C16H24N2O3
Molecular Weight: 292.37
InChI: InChI=1/C16H24N2O3/c1-16(2,3)21-15(19)18-10-8-14(9-11-18)20-13-6-4-12(17)5-7-13/h4-7,14H,8-11,17H2,1-3H3
Molecular Structure: (C16H24N2O3) 1-[(N-tert-Butoxycarbonyl-4-piperidinyl)oxy]-4-aminobenzene;4-(1-tert-Butoxycarbonylpiperidin-4-ylox...
Properties
Density:1.14 g/cm3
Refractive index:1.552
Specification:

This chemical is called tert-Butyl 4-(4-aminophenoxy)-1-piperidinecarboxylate, and it can also be named as 1-Piperidinecarboxylic acid, 4-(4-aminophenoxy)-, 1,1-dimethylethyl ester. With the molecular formula of C16H24N2O3, its molecular weight is 292.37. The CAS registry number of this chemical is 138227-63-1, and its product category is pharmacetical.

Other characteristics of the tert-Butyl 4-(4-aminophenoxy)-1-piperidinecarboxylate can be summarised as followings: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 173; (8)ACD/KOC (pH 7.4): 242; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 64.79 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 81.972 cm3; (15)Molar Volume: 256.464 cm3; (16)Polarizability: 32.496×10-24cm3; (17)Surface Tension: 46.354 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 214.045 °C Enthalpy of Vaporization: 68.575 kJ/mol; (20)Boiling Point: 430.312 °C at 760 mmHg Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Nc1ccc(cc1)OC2CCN(CC2)C(=O)OC(C)(C)C
2.InChI: InChI=1/C16H24N2O3/c1-16(2,3)21-15(19)18-10-8-14(9-11-18)20-13-6-4-12(17)5-7-13/h4-7,14H,8-11,17H2,1-3H3
3.InChIKey: WEIBGUDKHYWNMW-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-8-14(9-11-18)20-13-6-4-12(17)5-7-13/h4-7,14H,8-11,17H2,1-3H3
5.Std. InChIKey: WEIBGUDKHYWNMW-UHFFFAOYSA-N

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