CAS 1228879-37-5

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Also known as: 1228879-37-5, 1-benzyl-4-methyl-3-(methylamino)piperidine dihydrochloride, Mfcd09475546, 1-benzyl-n,4-dimethylpiperidin-3-amine;dihydrochloride, 3-piperidinamine, n,4-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2), Tofacitinib impurity 02

Molecular Formula

C₁₄H₂₄Cl₂N₂

Molecular Weight

291.3 g/mol

InChI Key

CVQNXCBXFOIHLH-UHFFFAOYSA-N

1 2D Structure

CAS 1228879-37-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.3 InChI Key

CVQNXCBXFOIHLH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CCN(CC1NC)CC2=CC=CC=C2.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1228879-37-5

2. 1-benzyl-4-methyl-3-(methylamino)piperidine Dihydrochloride

3. Mfcd09475546

4. 1-benzyl-n,4-dimethylpiperidin-3-amine;dihydrochloride

5. 3-piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, Hydrochloride (1:2)

6. Tofacitinib Impurity 02

7. Tofacitinib Impurity F

8. Mfcd09864744

9. 477600-68-3

10. Schembl1847744

11. Cs-m3092

12. Akos025290698

13. Am85514

14. Sb10188

15. Sb20814

16. Sb22747

17. Ac-31054

18. Cs-13048

19. Sy008371

20. Sy026946

21. Db-059460

22. Ft-0648996

23. A910075

24. N,4-dimethyl-1-(phenylmethyl)-3-piperidinamine 2hcl

25. 1-benzyl-4-methyl-3-(methylamino)piperidinedihydrochloride

26. (1-benzyl-4-methylpiperidin-3-yl)-methylamine Bishydrochloride

27. (1-benzyl4-methylpiperidin-3-yl)-methylamine Bishydrochloride

28. (1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine Dihydrochloride

2.3 Create Date

2006-10-25

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	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	15.3
Heavy Atom Count	18
Formal Charge	0
Complexity	199
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3