Name: 1-(4-METHOXYBENZOYL)-PIPERAZINE
SKU: 94747-49-6

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Basic Information

Molecular Structure:
CAS No.:	94747-49-6
Name:	1-(4-METHOXYBENZOYL)-PIPERAZINE
Article Data:	17

Formula:	C₁₂H₁₆N₂O₂
Molecular Weight:	220.271
Synonyms:	Piperazine,1-(4-methoxybenzoyl)- (9CI);(4-Methoxyphenyl)(piperazin-1-yl)methanone;1-(4-Methoxybenzoyl)piperazine;1-[(4-methoxyphenyl)carbonyl]piperazine;Methanone, (4-methoxyphenyl)-1-piperazinyl-;1-(4-Methoxybenzoyl)piperazine;
Density:	1.132 g/cm³
Boiling Point:	394.3 °C at 760 mmHg
Flash Point:	192.3 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	41.57000
LogP:	1.00730

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Specification

The Methanone,(4-methoxyphenyl)-1-piperazinyl-, with the CAS registry number 94747-49-6, has the systematic name of 1-[(4-methoxyphenyl)carbonyl]piperazine. It belongs to the product category of Piperazines. And the molecular formula of the chemical is C₁₂H₁₆N₂O₂.

The characteristics of Methanone,(4-methoxyphenyl)-1-piperazinyl- are as followings: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): 0.18; (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): 24.01; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 61.68 cm³; (15)Molar Volume: 194.5 cm³; (16)Polarizability: 24.45×10^-24cm³; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.132 g/cm³; (19)Flash Point: 192.3 °C; (20)Enthalpy of Vaporization: 64.43 kJ/mol; (21)Boiling Point: 394.3 °C at 760 mmHg; (22)Vapour Pressure: 1.99E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(OC)cc1)N2CCNCC2
(2)InChI: InChI=1/C12H16N2O2/c1-16-11-4-2-10(3-5-11)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
(3)InChIKey: AWNXKUKDGIDDBE-UHFFFAOYAJ