CAS 1180132-17-5

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Also known as: 1180132-17-5, 5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine, 2-amino-5-[(4-ethyl-1-piperazinyl)methyl]pyridine, Mfcd14706690, 5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-ylamine, Schembl1126048

Molecular Formula

C₁₂H₂₀N₄

Molecular Weight

220.31 g/mol

InChI Key

MNJBMPQTXVZMFZ-UHFFFAOYSA-N

1 2D Structure

CAS 1180132-17-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine

2.1.2 InChI

InChI=1S/C12H20N4/c1-2-15-5-7-16(8-6-15)10-11-3-4-12(13)14-9-11/h3-4,9H,2,5-8,10H2,1H3,(H2,13,14)

2.1.3 InChI Key

MNJBMPQTXVZMFZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN1CCN(CC1)CC2=CN=C(C=C2)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1180132-17-5

2. 5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine

3. 2-amino-5-[(4-ethyl-1-piperazinyl)methyl]pyridine

4. Mfcd14706690

5. 5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-ylamine

6. Schembl1126048

7. Amy1843

8. Dtxsid60670506

9. Bcp15949

10. Cs-m2088

11. Zinc49587248

12. Akos011459478

13. Ac-30669

14. Da-38177

15. Ds-12780

16. Sy116161

17. A2438

18. Ft-0655307

19. J3.496.266i

20. 5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-amin

21. 5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridineamine

22. 2-pyridinamine, 5-[(4-ethyl-1-piperazinyl)methyl]-

23. 2-pyridinamine,5-[(4-ethyl-1-piperazinyl)methyl]-

24. [5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]amine

2.3 Create Date

2010-06-17

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₀N₄
Molecular Weight	220.31 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	220.16879665 g/mol
Monoisotopic Mass	220.16879665 g/mol
Topological Polar Surface Area	45.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1