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951174-11-1

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Basic Information
CAS No.: 951174-11-1
Name: tert-Butyl 4-(5-methoxy-1H-indol-3-yl)-1-piperidinecarboxylate
Article Data: 4
Molecular Structure:
Molecular Structure of 951174-11-1 (tert-Butyl 4-(5-methoxy-1H-indol-3-yl)-1-piperidinecarboxylate)
Formula: C19H26 N2 O3
Molecular Weight: 330.427
Synonyms: 1-piperidinecarboxylic acid, 4-(5-methoxy-1H-indol-3-yl)-, 1,1-dimethylethyl ester;1-Piperidinecarboxylic acid;4-(5-methoxy-1H-indol-3-yl)-, 1,1-dimethylethyl ester;
Density: 1.158g/cm3
Melting Point: 251.332 °C
Boiling Point: 491.965 °C at 760 mmHg
PSA: 54.56000
LogP: 4.22890
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Specification

The tert-Butyl 4-(5-methoxy-1H-indol-3-yl)-1-piperidinecarboxylate with cas registry number of 951174-11-1, is also called 1-piperidinecarboxylic acid, 4-(5-methoxy-1H-indol-3-yl)-, 1,1-dimethylethyl ester ; 1-Piperidinecarboxylic acid .

Physical properties of tert-Butyl 4-(5-methoxy-1H-indol-3-yl)-1-piperidinecarboxylate :(1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.448; (4)ACD/LogD (pH 7.4): 3.448; (5)ACD/BCF (pH 5.5): 245.881; (6)ACD/BCF (pH 7.4): 245.881; (7)ACD/KOC (pH 5.5): 1790.142; (8)ACD/KOC (pH 7.4): 1790.142; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.56 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 94.838 cm3; (15)Molar Volume: 285.322 cm3; (16)Polarizability: 37.597×10-24cm3; (17)Surface Tension: 46.675 dyne/cm; (18)Enthalpy of Vaporization: 75.88 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C .

You can still convert the following datas into molecular structure:(1)SMILES:CC(C)(C)OC(=O)N1CCC(CC1)c2c[nH]c3c2cc(cc3)OC; (2)InChI:InChI=1/C19H26N2O3/c1-19(2,3)24-18(22)21-9-7-13(8-10-21)16-12-20-17-6-5-14(23-4)11-15(16)17/h5-6,11-13,20H,7-10H2,1-4H3; (3)InChIKey:VTNYLHQQIXRGSF-UHFFFAOYAN; (4)Std. InChI:InChI=1S/C19H26N2O3/c1-19(2,3)24-18(22)21-9-7-13(8-10-21)16-12-20-17-6-5-14(23-4)11-15(16)17/h5-6,11-13,20H,7-10H2,1-4H3; (5)Std. InChIKey:VTNYLHQQIXRGSF-UHFFFAOYSA-N.