CAS 1062580-52-2

Virtual Booth

Contact Supplier

Fishfa Biogenics: Renowned Manufacturer, & Exporter of Tacrolimus & Mupirocin API.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

13 Suppliers, 12 End Use APIs, 47 Related Intermediates

13 Suppliers
12 End Use APIs
47 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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

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 Formula	C₁₄H₂₄Cl₂N₂
Molecular Weight	291.3 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	290.1316542 g/mol
Monoisotopic Mass	290.1316542 g/mol
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	199
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3