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CAS 1062580-52-2
PharmaCompass
CAS 1062580-52-2
Also known as: 1062580-52-2, (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine dihydrochloride, (3r,4r)-rel-1-benzyl-n,4-dimethylpiperidin-3-amine dihydrochloride, 477600-68-3, Ak-59729, Ak110539
Molecular Formula
C14H24Cl2N2
Molecular Weight
291.26  g/mol
InChI Key
CVQNXCBXFOIHLH-DAIKJZOUSA-N

1 2D Structure

CAS 1062580-52-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride
2.1.2 InChI
InChI=1S/C14H22N2.2ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;;/h3-7,12,14-15H,8-11H2,1-2H3;2*1H/t12-,14+;;/m1../s1
2.1.3 InChI Key
CVQNXCBXFOIHLH-DAIKJZOUSA-N
2.1.4 Canonical SMILES
CC1CCN(CC1NC)CC2=CC=CC=C2.Cl.Cl
2.1.5 Isomeric SMILES
C[C@@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2.Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1062580-52-2

2. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine Dihydrochloride

3. (3r,4r)-rel-1-benzyl-n,4-dimethylpiperidin-3-amine Dihydrochloride

4. 477600-68-3

5. Ak-59729

6. Ak110539

7. (3r,4r)-1-benzyl-n,4-dimethyl-3-piperidinamine Dihydrochloride

8. Cis-n-benzyl-3-methylamino-4-methyl-piperidine Bis-(hydrochloride)

9. Cis-1-benzyl-n,4-dimethylpiperidin-3-amine Dihydrochloride

10. (3r,4r)-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine Dihydrochloride

11. 3-piperidinamine,n,4-dimethyl-1-(phenylmethyl)-,hydrochloride(1:2),(3r,4r)-

12. Mfcd09864744

13. (1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine Dihydrochloride

14. Schembl1375746

15. Ampd00105

16. Ctk8b6268

17. Molport-009-198-562

18. Molport-044-813-201

19. Cs-b0452

20. Anw-53189

21. Am85470

22. Cs-w009258

23. Ebd2203032

24. Ac-26979

25. Ds-16348

26. Kb-62792

27. Sc-83588

28. Ab0047110

29. Ab1001115

30. Ax8217114

31. Ax8223193

32. Kb-276996

33. Tc-141934

34. St24020424

35. Ks-00000232

36. Ks-00000530

37. Q-1977

38. Z-7400

39. J-501288

40. Cis-1-benzyl-n3,4-dimethylpiperidin-3-amine Dihydrochloride

41. Cis-n-benzyl-3-methylamino-4-methyl-piperidine Bis

42. Cis-n-benzyl-3-methylamino-4-methyl-piperidine Bis-(hcl)

43. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-aminedihydrochloride

44. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine Bis-(hydrochloride)

45. (3r,4r)-1-benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride

46. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine Dihydrochloride_racemic

47. (3r,4r);-rel-1-benzyl-n,4-dimethylpiperidin-3-amine Dihydrochloride

48. 3-piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, Hydrochloride (1:2), (3r,4r)-

2.3 Create Date
2010-06-21
3 Chemical and Physical Properties
Molecular Weight 291.26 g/mol
Molecular Formula C14H24Cl2N2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass290.132 g/mol
Monoisotopic Mass290.132 g/mol
Topological Polar Surface Area15.3 A^2
Heavy Atom Count18
Formal Charge0
Complexity199
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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