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Basic Information
CAS No.: 190964-91-1
Name: tert-butyl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
Article Data: 6
Molecular Structure:
Molecular Structure of 190964-91-1 (tert-butyl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate)
Formula: C15H29N3O2
Molecular Weight: 283.41
Synonyms: 4-(4-METHYL-1-PIPERAZINYL)-1-PIPERIDINECARBOXYLIC ACID TERT-BUTYL ESTER;
Density: 1.061 g/cm3
Boiling Point: 370.2 °C at 760 mmHg
Flash Point: 177.7 °C
PSA: 36.02000
LogP: 1.44700
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Specification

The 4-(4-Methyl-1-piperazinyl)-1-piperidinecarboxylic acid tert-butyl ester, with CAS registry number 190964-91-1, has the systematic name of tert-butyl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate. And the chemical formula of this chemical is C15H29N3O2.

Physical properties of 4-(4-Methyl-1-piperazinyl)-1-piperidinecarboxylic acid tert-butyl ester: (1)ACD/LogP: 0.72; (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): 5.18; (7)#H bond acceptors: 5; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 36.02 Å2; (11)Index of Refraction: 1.509; (12)Molar Refractivity: 79.77 cm3; (13)Molar Volume: 266.9 cm3; (14)Polarizability: 31.62×10-24cm3; (15)Surface Tension: 39.8 dyne/cm; (16)Enthalpy of Vaporization: 61.71 kJ/mol; (17)Vapour Pressure: 1.12E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(CC1)N2CCN(C)CC2
(2)InChI: InChI=1/C15H29N3O2/c1-15(2,3)20-14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17/h13H,5-12H2,1-4H3
(3)InChIKey: PUGUVPMTGGMMAB-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17/h13H,5-12H2,1-4H3
(5)Std. InChIKey: PUGUVPMTGGMMAB-UHFFFAOYSA-N