CAS 147769-93-5

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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

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 Formula	C₁₆H₂₆N₂
Molecular Weight	246.39 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	246.209598838 g/mol
Monoisotopic Mass	246.209598838 g/mol
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	233
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1