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686298-00-0

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Basic Information
CAS No.: 686298-00-0
Name: 4-(Benzylpiperazine-4-yl)piperidine dihydrochloride
Molecular Structure:
Molecular Structure of 686298-00-0 (4-(Benzylpiperazine-4-yl)piperidine dihydrochloride)
Formula: C16H25N3
Molecular Weight: 259.395
Synonyms: 1-Benzyl-4-piperidin-4-ylpiperazine;4-benzyl-1-(4-piperidyl)piperazine;
Density: 1.067 g/cm3
Boiling Point: 377.8 °C at 760 mmHg
Flash Point: 190.3 °C
PSA: 18.51000
LogP: 1.76080
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Specification

The 4-(Benzylpiperazine-4-yl)piperidine dihydrochloride, with the CAS registry number 686298-00-0, has the systematic name and IUPAC name of 1-benzyl-4-piperidin-4-ylpiperazine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C16H25N3.

The characteristics of 4-(Benzylpiperazine-4-yl)piperidine dihydrochloride are as followings: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 9.72 Å2; (7)Index of Refraction: 1.565; (8)Molar Refractivity: 79.19 cm3; (9)Molar Volume: 243 cm3; (10)Polarizability: 31.39×10-24cm3; (11)Surface Tension: 43.5 dyne/cm; (12)Density: 1.067 g/cm3; (13)Flash Point: 190.3 °C; (14)Enthalpy of Vaporization: 62.56 kJ/mol; (15)Boiling Point: 377.8 °C at 760 mmHg; (16)Vapour Pressure: 6.59E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N2(CCN(C1CCNCC1)CC2)Cc3ccccc3
(2)InChI: InChI=1/C16H25N3/c1-2-4-15(5-3-1)14-18-10-12-19(13-11-18)16-6-8-17-9-7-16/h1-5,16-17H,6-14H2
(3)InChIKey: VJPZYEOANUCDTC-UHFFFAOYAK