Home Fluorides 102391-98-0
102391-98-0,MFCD01829194
Catalog No.:AA000795
102391-98-0 | 1-(4-Fluorobenzoyl)piperazine
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Technical Information
Catalog Number:
AA000795
Chemical Name:
1-(4-Fluorobenzoyl)piperazine
CAS Number:
102391-98-0
Molecular Formula:
C11H13FN2O
Molecular Weight:
208.2321
MDL Number:
MFCD01829194
IUPAC Name:
(4-fluorophenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C11H13FN2O/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChI Key:
OITKVXMAEXNRRK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)N1CCNCC1
Properties
Computed Properties
 
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.101g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.236g/mol
Monoisotopic Mass:
208.101g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
102391-98-0 
1-(4-fluorobenzoyl)piperazine 
AC1Q4LZ2 
AC1Q4LZ3 
ACMC-1C73J 
Oprea1_252004 
Oprea1_607041 
SCHEMBL2336859 
1-(4-fluorobenzoyl)-piperazine 
4-(4-fluorobenzoyl)-piperazine 
CTK0G7633 
DTXSID60354399 
(4-fluorophenyl)(piperazin-1-yl)methanone 
OITKVXMAEXNRRK-UHFFFAOYSA-N 
KS-00001NT1 
ZINC4893997 
7634AC 
BBL019130 
MFCD01829194 
SBB025049 
STK351991 
AKOS000128570 
MCULE-5573464648 
(4-Fluorophenyl)(1-piperazinyl)methanone 
RTR-033845 
(4-fluorophenyl)piperazin-1-ylmethanone 
1-[(4-Fluorophenyl)Carbonyl]Piperazine 
(4-fluorophenyl)-piperazin-1-ylmethanone 
AS-44965 
SC-60385 
TR-033845 
FT-0681599 
ST45128102 
EN300-30537 
Methanone, (4-fluorophenyl)-1-piperazinyl- 
Z-1514 
I13-517 
J-000680 
C11H13FN2O 
CID771862 
(4-Fluoro-phenyl)-piperazin-1-yl-methanone 
Piperazine, 1-(4-fluorobenzoyl)- 
4-fluorophenyl piperazinyl ketone 
AC1LGIHZ 
BAS 01234745 
Literature

Title: [New derivatives of eremomycin containing (15)n or f atoms for NMR study].

Journal: Bioorganicheskaia khimiia 20080101

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