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Also known as: 657410-79-2, 1-methyl-4-(6-nitro-pyridin-3-yl)-piperazine, Piperazine, 1-methyl-4-(6-nitro-3-pyridinyl)-, 1-methyl-4-(6-nitro-3-pyridyl)piperazine, Schembl521907, Schembl13139587
Molecular Formula
C10H14N4O2
Molecular Weight
222.24  g/mol
InChI Key
YVQVMPXTKXNMIV-UHFFFAOYSA-N

CAS 657410-79-2
1 2D Structure

CAS 657410-79-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methyl-4-(6-nitropyridin-3-yl)piperazine
2.1.2 InChI
InChI=1S/C10H14N4O2/c1-12-4-6-13(7-5-12)9-2-3-10(11-8-9)14(15)16/h2-3,8H,4-7H2,1H3
2.1.3 InChI Key
YVQVMPXTKXNMIV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 657410-79-2

2. 1-methyl-4-(6-nitro-pyridin-3-yl)-piperazine

3. Piperazine, 1-methyl-4-(6-nitro-3-pyridinyl)-

4. 1-methyl-4-(6-nitro-3-pyridyl)piperazine

5. Schembl521907

6. Schembl13139587

7. Dtxsid50680199

8. Cs-m3135

9. Mfcd11520856

10. Zinc36108812

11. Akos016013159

12. Am804201

13. Ds-10842

14. Db-073657

15. Ft-0701479

16. Methyl-4-(6-nitro-pyridin-3-yl)-piperazine

17. J-504942

18. Ethanone, 1-[2-methyl-5-(4-methylphenyl)-3-furanyl]-

2.3 Create Date
2011-05-20
3 Chemical and Physical Properties
Molecular Weight 222.24 g/mol
Molecular Formula C10H14N4O2
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area65.2
Heavy Atom Count16
Formal Charge0
Complexity248
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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