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Also known as: 74852-61-2, 1-(4-methyloxy-phenyl)-4-(4-nitro-phenyl)-piperazine, 1-(4-methoxyphenyl)-4-(4-nitrophenyl) piperazine, Piperazine, 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-, Oprea1_198905, Schembl2550023
Molecular Formula
C17H19N3O3
Molecular Weight
313.35  g/mol
InChI Key
AVCKOFMRPAJEPN-UHFFFAOYSA-N

CAS 74852-61-2
1 2D Structure

CAS 74852-61-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine
2.1.2 InChI
InChI=1S/C17H19N3O3/c1-23-17-8-6-15(7-9-17)19-12-10-18(11-13-19)14-2-4-16(5-3-14)20(21)22/h2-9H,10-13H2,1H3
2.1.3 InChI Key
AVCKOFMRPAJEPN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 74852-61-2

2. 1-(4-methyloxy-phenyl)-4-(4-nitro-phenyl)-piperazine

3. 1-(4-methoxyphenyl)-4-(4-nitrophenyl) Piperazine

4. Piperazine, 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-

5. Oprea1_198905

6. Schembl2550023

7. Dtxsid50408653

8. Avckofmrpajepn-uhfffaoysa-n

9. Amy40877

10. Mfcd01604435

11. Stk761016

12. Akos001131144

13. Ac-10977

14. Bs-49350

15. Cs-0130126

16. Ft-0641542

17. 1-{4-nitrophenyl}-4-(4-methoxyphenyl)piperazine

18. A838239

19. Ag-205/13056226

20. Sr-01000525959

21. Sr-01000525959-1

22. 1-(4-methoxy-phenyl)-4-(4-nitro-phenyl)-piperazine

23. Z31269021

24. 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-piperazine

2.3 Create Date
2005-09-18
3 Chemical and Physical Properties
Molecular Weight 313.35 g/mol
Molecular Formula C17H19N3O3
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area61.5
Heavy Atom Count23
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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