1-(DIBENZOSUBERYL)PIPERAZINE

The Piperazine,1-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-, with the CAS registry number 69159-50-8, is also known as 1-(10,11-Dihydrodibenzo(a,d)cyclohepten-5-yl)piperazine. This chemical's molecular formula is C₁₉H₂₂N₂ and formula weight is 278.39. What's more, its systematic name is 1-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)piperazine. Its classification code is Drug/Therapeutic Agent. It is irritant.

Physical properties of Piperazine,1-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)- are: (1)ACD/LogP: 5.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 4.71; (6)ACD/BCF (pH 7.4): 39.73; (7)ACD/KOC (pH 5.5): 14.28; (8)ACD/KOC (pH 7.4): 120.46; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 86.42 cm³; (15)Molar Volume: 251 cm³; (16)Surface Tension: 44.3 dyne/cm; (17)Density: 1.109 g/cm³; (18)Flash Point: 154.7 °C; (19)Enthalpy of Vaporization: 65.41 kJ/mol; (20)Boiling Point: 402.9 °C at 760 mmHg; (21)Vapour Pressure: 1.06E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene, piperazine by heating. This reaction will need solvent dioxane with the reaction time of 7 hours. The yield is about 84%.

Uses of Piperazine,1-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-: it can be used to produce [4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-piperazin-1-yl]-acetonitrile at the temperature of 55°C. It will need reagent NaOH and solvent dioxane. The yield is about 55%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CCNCC4
(2)InChI: InChI=1S/C19H22N2/c1-3-7-17-15(5-1)9-10-16-6-2-4-8-18(16)19(17)21-13-11-20-12-14-21/h1-8,19-20H,9-14H2
(3)InChIKey: MDBCLUYDTRHKCA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 50mg/kg (50mg/kg)		Journal of Medicinal Chemistry. Vol. 22, Pg. 183, 1979