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1-Piperidinecarboxylicacid, 4-[(1-methylethyl)amino]-, 1,1-dimethylethyl ester (534595-51-2)

Identification
Name:1-Piperidinecarboxylicacid, 4-[(1-methylethyl)amino]-, 1,1-dimethylethyl ester
Synonyms:4-Isopropylaminopiperidine-1-carboxylicacid tert-butyl ester
CAS:534595-51-2
Molecular Formula: C13H26 N2 O2
Molecular Weight: 242.36
InChI: InChI=1/C13H26N2O2/c1-10(2)14-11-6-8-15(9-7-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
Molecular Structure: (C13H26N2O2) 4-Isopropylaminopiperidine-1-carboxylicacid tert-butyl ester
Properties
Density:0.99 g/cm3
Refractive index:1.482
Specification:

The 1-Boc-4-Isopropylaminopiperidine with the cas number 534595-51-2 is also called 1-Piperidinecarboxylicacid, 4-[(1-methylethyl)amino]-, 1,1-dimethylethyl ester. The systematic name is tert-butyl 4-[(1-methylethyl)amino]piperidine-1-carboxylate. Its molecular formula is C13H26N2O2.

The properties of the chemical are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.38; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 41.57 Å2; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 69.54 cm3; (13)Molar Volume: 243.6 cm3; (14)Polarizability: 27.56×10-24cm3; (15)Surface Tension: 35.1 dyne/cm; (16)Enthalpy of Vaporization: 55.9 kJ/mol; (17)Vapour Pressure: 0.000381 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)NC1CCN(CC1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C13H26N2O2/c1-10(2)14-11-6-8-15(9-7-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
(3)InChIKey: GVPSIFSYYZXVQC-UHFFFAOYAB

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