CAS 53617-36-0

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BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 9 Related Intermediates

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3 End Use APIs
9 Related Intermediates

Chemistry

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Also known as: 53617-36-0, 1-methyl-4-(4-piperidinyl)piperazine, 1-methyl-4-(piperidin-4-yl)-piperazine, 1-methyl-4-piperidin-4-yl-piperazine, 1-methyl-4-piperidin-4-ylpiperazine, Piperazine, 1-methyl-4-(4-piperidinyl)-

Molecular Formula

C₁₀H₂₁N₃

Molecular Weight

183.29 g/mol

InChI Key

MRYYJGQKVGZGSB-UHFFFAOYSA-N

1 2D Structure

CAS 53617-36-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methyl-4-piperidin-4-ylpiperazine

2.1.2 InChI

InChI=1S/C10H21N3/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10/h10-11H,2-9H2,1H3

2.1.3 InChI Key

MRYYJGQKVGZGSB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C2CCNCC2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 53617-36-0

2. 1-methyl-4-(4-piperidinyl)piperazine

3. 1-methyl-4-(piperidin-4-yl)-piperazine

4. 1-methyl-4-piperidin-4-yl-piperazine

5. 1-methyl-4-piperidin-4-ylpiperazine

6. Piperazine, 1-methyl-4-(4-piperidinyl)-

7. 99726-99-5

8. Mfcd03274729

9. 1-methyl-4-(4-piperidyl)piperazine

10. 1 Methyl-4-(piperidin-4-yl)piperazine

11. Oprea1_568221

12. Oprea1_801469

13. Schembl383553

14. Dtxsid30912521

15. Bcp13916

16. Cs-m1225

17. 1-methyl-4-piperidin-4yl-piperazine

18. Zinc19504179

19. 1-methyl-4-piperidin-4-yl-piperazin

20. 4-(1-methyl-4-piperazinyl)piperidine

21. 4-(1-methylpiperazin-4-yl)piperidine

22. 4-(4-methyl-1-piperazinyl)piperidine

23. Akos000185755

24. Am85307

25. As-5559

26. Sb17896

27. 1-methyl-4-(piperidine-4-yl)piperazine

28. Ac-30880

29. Bas 04918778

30. Sy032225

31. Db-019256

32. Bb 0261283

33. Ft-0640181

34. 1-methyl-4-(4-piperidyl)piperazine Hydrochoride

35. A817027

36. A829687

37. A851688

38. A1-50272

39. J-504944

40. 1-methyl-4-(piperidin-4-yl)-piperazine, Aldrichcpr

41. 4-(2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-phthalicacid

42. 3-(2-methyl-1-piperidyl)-2-phenyl-propan-1-ol;1-methyl-4-(4-piperidinyl)piperazine

2.3 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₂₁N₃
Molecular Weight	183.29 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	183.173547683 g/mol
Monoisotopic Mass	183.173547683 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	146
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