CAS 320589-77-3

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Also known as: 320589-77-3, 4-piperidone hydrochloride monohydrate, 4-piperidone hydrochloride hydrate, Piperidin-4-one hydrate hydrochloride, 4-piperidone hydrate hydrochloride, Piperidin-4-one hcl h2o

Molecular Formula

C₅H₁₂ClNO₂

Molecular Weight

153.61 g/mol

InChI Key

SXWRTZOXMUOJER-UHFFFAOYSA-N

1 2D Structure

CAS 320589-77-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

piperidin-4-one;hydrate;hydrochloride

2.1.2 InChI

InChI=1S/C5H9NO.ClH.H2O/c7-5-1-3-6-4-2-5;;/h6H,1-4H2;1H;1H2

2.1.3 InChI Key

SXWRTZOXMUOJER-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1=O.O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 320589-77-3

2. 4-piperidone Hydrochloride Monohydrate

3. 4-piperidone Hydrochloride Hydrate

4. Piperidin-4-one Hydrate Hydrochloride

5. 4-piperidone Hydrate Hydrochloride

6. Piperidin-4-one Hcl H2o

7. 4-piperidinone, Hydrochloride, Monohydrate

8. Mfcd00150616

9. 4-piperidinone Monohydrate Hydrochloride

10. 4-piperidinone,hydrochloride,monohydrate

11. Ppd Hcl H2o

12. 4-piperidinone Hydrate Hydrochloride

13. Piperidin-4-one;hydrate;hydrochloride

14. 4-piperidinone Hydrochloride Monohydrate

15. 4-piperidone.h2o.hcl

16. Schembl70721

17. Piperidin-4-one Hcl Hydrate

18. 4-piperidinone Monohydrate Hcl

19. Dtxsid80960517

20. 4-piperidone-hydrate Hydrochloride

21. 4-piperidinone Hydrochloride Hydrate

22. Act02123

23. Einecs 254-779-9

24. 4-oxopiperidine Hydrate Hydrochloride

25. Ab7716

26. 4-ketopiperidine Hydrate Hydrochloride

27. 4-piperidone Monohydrochloride Hydrate

28. Akos005255341

29. 4-piperidone Hydrochloride, Monohydrate

30. 4-piperidone Mono Hydrate Hydrochloride

31. Cs-w018762

32. Ps-8898

33. Sb10221

34. 4-oxopiperidine Hydrochloride Monohydrate

35. Piperidin-4-one Hydrochloride Monohydrate

36. Piperidin-4-one Monohydrate Hydrochloride

37. 4-ketopiperidine Hydrochloride Monohydrate

38. 4-piperidone Monohydrate Hydrogen Chloride

39. 4-piperidone Monohydrochloride Monohydrate

40. Sy002027

41. 4-piperidone Monohydrate Hydrochloride Salt

42. 4-piperidinone Monohydrate Monohydrochloride

43. 4-piperidinone Monohydrochloride Monohydrate

44. Db-025378

45. Am20100060

46. Ft-0644414

47. Piperidin-4-one Monohydrochloride Monohydrate

48. 4-piperidone Monohydrate Hydrochloric Acid Salt

49. 4-piperidinone Hydrochloride Hydrate, Aldrichcpr

50. 589p773

51. Q-103023

52. Piperidin-4-one--hydrogen Chloride--water (1/1/1)

53. F0001-1127

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₂ClNO₂
Molecular Weight	153.61 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	153.0556563 g/mol
Monoisotopic Mass	153.0556563 g/mol
Topological Polar Surface Area	30.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	72.1
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	3

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