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Also known as: 1062580-52-2, 477600-68-3, (3r,4r)-rel-1-benzyl-n,4-dimethylpiperidin-3-amine dihydrochloride, Cis-1-benzyl-n,4-dimethylpiperidin-3-amine dihydrochloride, Cis-n-benzyl-3-methylamino-4-methyl-piperidine bis-(hydrochloride), (3r,4r)-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine dihydrochloride
Molecular Formula
C14H24Cl2N2
Molecular Weight
291.3  g/mol
InChI Key
CVQNXCBXFOIHLH-DAIKJZOUSA-N
FDA UNII
H9652393WE

CAS 1062580-52-2
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 Other Identifiers
2.2.1 UNII
H9652393WE
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1062580-52-2

2. 477600-68-3

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

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

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

6. (3r,4r)-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine Dihydrochloride

7. H9652393we

8. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine;dihydrochloride

9. (3r,4r)-1-benzyl-n,4-dimethyl-3-piperidinamine Dihydrochloride

10. (3r,4r)-1-benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride

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

12. Mfcd11044501

13. Ec 700-696-2

14. Schembl1375746

15. Unii-h9652393we

16. Ampd00105

17. Dtxsid60909964

18. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-aminedihydrochloride

19. Cs-b0452

20. Akos016842796

21. Am85470

22. Cs-w009258

23. Ac-26979

24. Ds-16348

25. P15623

26. A850075

27. A872075

28. J-501288

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

30. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine 2hcl

31. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine Bis-(hydrochloride)

32. 1-benzyl-n,4-dimethylpiperidin-3-amine--hydrogen Chloride (1/2)

33. (3r,4r)-1-benzyl-n,4-dimethylpiperidin-3-amine Dihydrochloride_racemic

34. (3r,4r)-rel-n,4-dimethyl-1-(phenylmethyl)-3-piperidinamine Dihydrochloride

35. 3-piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, Hydrochloride (1:2), (3r,4r)-

2.4 Create Date
2010-06-21
3 Chemical and Physical Properties
Molecular Weight 291.3 g/mol
Molecular Formula C14H24Cl2N2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass290.1316542 g/mol
Monoisotopic Mass290.1316542 g/mol
Topological Polar Surface Area15.3 Ų
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

BUILDING BLOCK

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