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Also known as: 147769-93-5, (s)-3-methyl-1-(2-(1-piperidinyl)phenyl)butylamine, (s)-3-methyl-1-(2-piperidin-1-ylphenyl)butylamine, (s)-3-methyl-1-(2-piperidin-1-yl-phenyl)butylamine, 3-methyl-1-(2-piperidinophenyl)-1-butylamine, (s)-, (1s)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine
Molecular Formula
C16H26N2
Molecular Weight
246.39  g/mol
InChI Key
CARYLRSDNWJCJV-HNNXBMFYSA-N
FDA UNII
DRF24F0TA7

CAS 147769-93-5
1 2D Structure

CAS 147769-93-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine
2.1.2 InChI
InChI=1S/C16H26N2/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3/t15-/m0/s1
2.1.3 InChI Key
CARYLRSDNWJCJV-HNNXBMFYSA-N
2.1.4 Canonical SMILES
CC(C)CC(C1=CC=CC=C1N2CCCCC2)N
2.1.5 Isomeric SMILES
CC(C)C[C@@H](C1=CC=CC=C1N2CCCCC2)N
2.2 Other Identifiers
2.2.1 UNII
DRF24F0TA7
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 147769-93-5

2. (s)-3-methyl-1-(2-(1-piperidinyl)phenyl)butylamine

3. (s)-3-methyl-1-(2-piperidin-1-ylphenyl)butylamine

4. (s)-3-methyl-1-(2-piperidin-1-yl-phenyl)butylamine

5. 3-methyl-1-(2-piperidinophenyl)-1-butylamine, (s)-

6. (1s)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

7. Ramipril Related Compound A Free Base

8. Drf24f0ta7

9. (s)-3-methyl-1-[2-(1-piperidinyl)phenyl]butylamine

10. (+)-3-methyl-1-(2-piperidinophenyl)-1-butylamine

11. (s)-3-methyl-1-(2-piperidinophenyl)-1-butylamine

12. (1s)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine

13. Benzenemethanamine, Alpha-(2-methylpropyl)-2-(1-piperidinyl)-, (alphas)-

14. Unii-drf24f0ta7

15. Repaglinide Specified Impurity C [ep]

16. Ec 604-603-5

17. Schembl390826

18. (1s)-3-methyl-1-[2-(1-piperidyl)phenyl]butan-1-amine

19. Dtxsid10163796

20. Xfa76993

21. Zinc2512947

22. Mfcd03839861

23. Akos015889755

24. Am84445

25. 112gi006

26. Ds-12225

27. Cs-0154325

28. Repaglinide Impurity C [ep Impurity]

29. A13906

30. 769m935

31. (s)-1-(2-piperidino-phenyl)-3-methyl-1-butylamine

32. Q-101331

33. (s)-3-methyl-1-(2-(1-piperidinyl)phenyl)-butylamine

34. (s)-3-methyl-1-(2-piperidin-1-ylphenyl) Butylamine

35. (s)-3-methyl-1-(2-piperidino-phenyl)-1-butyl-amine

36. (s)-3-methyl-1-(2-piperidino-phenyl)-1-butylamine

37. (s)-3-methyl-1-[2-(1-piperidinyl)-phenyl]butylamine

38. Q27276561

39. (s)-3- Methyl-1-[2-(1- Piperidinyl)phenyl]butylamine

40. Benzenemethanamine, .alpha.-(2-methylpropyl)-2-(1-piperidinyl)-, (.alpha.s)-

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 246.39 g/mol
Molecular Formula C16H26N2
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass246.209598838 g/mol
Monoisotopic Mass246.209598838 g/mol
Topological Polar Surface Area29.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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