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34161-24-5

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Basic Information
CAS No.: 34161-24-5
Name: 1-(2-[4-Chlorophenoxy]acetyl)-4-(3,4-methylenedioxybenzyl)piperazine
Molecular Structure:
Molecular Structure of 34161-24-5 (1-(2-[4-Chlorophenoxy]acetyl)-4-(3,4-methylenedioxybenzyl)piperazine)
Formula: C20H21ClN2O4
Molecular Weight: 388.851
Synonyms: Piperazine,1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenoxy)acetyl]- (9CI);Piperazine,1-[(p-chlorophenoxy)acetyl]-4-piperonyl- (8CI);Fipexide;p-Chlorophenoxyacetylpiperonylpiperazide;
EINECS: 251-857-4
Density: 1.342g/cm3
Boiling Point: 559.3 °C at 760 mmHg
Flash Point: 292.1 °C
PSA: 51.24000
LogP: 2.66770
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Specification

The Fipexide with the cas number 34161-24-5 is also called Ethanone,1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-chlorophenoxy)-. Both the systematic name and IUPAC name are 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone. Its molecular formula is C20H21ClN2O4. The EINECS registry number is 251-857-4.

The properties of the chemical are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 102.58; (6)ACD/BCF (pH 7.4): 122.37; (7)ACD/KOC (pH 5.5): 909.99; (8)ACD/KOC (pH 7.4): 1085.6; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 51.24 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 101.25 cm3; (15)Molar Volume: 289.6 cm3; (16)Polarizability: 40.14×10-24cm3; (17)Surface Tension: 55.7 dyne/cm; (18)Enthalpy of Vaporization: 84.16 kJ/mol; (19)Vapour Pressure: 1.53×10-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc4ccc(OCC(=O)N1CCN(CC1)Cc2ccc3OCOc3c2)cc4
(2)InChI: InChI=1/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2
(3)InChIKey: BFUJHVVEMMWLHC-UHFFFAOYAN