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1-Ethyl-4-piperidin-4-ylpiperazine (202991-77-3)

Identification
Name:1-Ethyl-4-piperidin-4-ylpiperazine
Synonyms:Piperazine, 1-ethyl-4-(4-piperidyl)-;
CAS:202991-77-3
Molecular Formula: C11H23N3
Molecular Weight: 197.32
InChI: InChI=1/C11H23N3/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11/h11-12H,2-10H2,1H3
Molecular Structure: (C11H23N3) Piperazine, 1-ethyl-4-(4-piperidyl)-;
Properties
Density:0.975
Refractive index:1.498
Specification:

The IUPAC name of 1-Ethyl-4-piperidin-4-ylpiperazine is 1-Ethyl-4-piperidin-4-ylpiperazine. With the CAS registry number 202991-77-3, it is also named as Piperazine, 1-ethyl-4-(4-piperidyl)-. In addition, its molecular formula is C11H23N3 and its molecular weight is 197.32. 

The other characteristics of 1-Ethyl-4-piperidin-4-ylpiperazine can be summarized as: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.95; (4)ACD/LogD (pH 7.4): -3.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.72 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 59.35 cm3; (15)Molar Volume: 202.2 cm3; (16)Polarizability: 23.53×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.975 g/cm3; (19)Flash Point: 124.5 °C; (20)Enthalpy of Vaporization: 51.97 kJ/mol; (21)Boiling Point: 280.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00368 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:N2(CCN(C1CCNCC1)CC2)CC
(2)InChI:InChI=1/C11H23N3/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11/h11-12H,2-10H2,1H3
(3)InChIKey:JOXMSOKQNJLNEN-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C11H23N3/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11/h11-12H,2-10H2,1H3
(5)Std. InChIKey:JOXMSOKQNJLNEN-UHFFFAOYSA-N

Safety Data
 

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