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41340-88-9

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Basic Information
CAS No.: 41340-88-9
Name: PIPERAZIN-1-YL-PIPERIDIN-1-YL-METHANONE
Article Data: 5
Molecular Structure:
Molecular Structure of 41340-88-9 (PIPERAZIN-1-YL-PIPERIDIN-1-YL-METHANONE)
Formula: C10H19N3O
Molecular Weight: 197.28
Synonyms: Piperazine,1-(1-piperidinylcarbonyl)- (9CI);(Piperazin-1-yl)(piperidin-1-yl)methanone;1-(Piperidinocarbonyl)piperazine;1-(Piperidin-1-ylcarbonyl)piperazine;
Density: 1.106 g/cm3
Melting Point: 80-82 °C
Boiling Point: 314.4 °C at 760 mmHg
Flash Point: 144 °C
PSA: 35.58000
LogP: 0.70210
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Specification

The CAS registry number of Methanone,1-piperazinyl-1-piperidinyl- is 41340-88-9. The IUPAC name is piperazin-1-yl(piperidin-1-yl)methanone. In addition, the molecular formula is C10H19N3O and the molecular weight is 197.28. It is also called 1-(Piperidin-1-ylcarbonyl)piperazine. What's more, it should be stored in a cool and dry place.

Physical properties about Methanone,1-piperazinyl-1-piperidinyl- are: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.45; (4)ACD/LogD (pH 7.4): 0.22; (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): 19.25; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)Polar Surface Area: 26.79 Å2; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 54.55 cm3; (14)Molar Volume: 178.3 cm3; (15)Polarizability: 21.62 ×10-24cm3; (16)Surface Tension: 43.3 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 144 °C; (19)Enthalpy of Vaporization: 55.56 kJ/mol; (20)Boiling Point: 314.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000466 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCCCC1)N2CCNCC2
(2)InChI: InChI=1/C10H19N3O/c14-10(12-6-2-1-3-7-12)13-8-4-11-5-9-13/h11H,1-9H2
(3)InChIKey: KYEVTVIFIFPALW-UHFFFAOYAQ