CAS 73278-98-5

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Also known as: 73278-98-5, [3-(1-piperidinylmethyl)phenoxy]propylamine, 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine, Roxatidine impurity 2, (3-(1-piperidinylmethyl)phenoxy)propylamine, 3-(3-(piperidinomethyl)phenoxy)propylamine

Molecular Formula

C₁₅H₂₄N₂O

Molecular Weight

248.36 g/mol

InChI Key

VQSXCZMVUMSITD-UHFFFAOYSA-N

1 2D Structure

CAS 73278-98-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine

2.1.2 InChI

InChI=1S/C15H24N2O/c16-8-5-11-18-15-7-4-6-14(12-15)13-17-9-2-1-3-10-17/h4,6-7,12H,1-3,5,8-11,13,16H2

2.1.3 InChI Key

VQSXCZMVUMSITD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCN

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 73278-98-5

2. [3-(1-piperidinylmethyl)phenoxy]propylamine

3. 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine

4. Roxatidine Impurity 2

5. (3-(1-piperidinylmethyl)phenoxy)propylamine

6. 3-(3-(piperidinomethyl)phenoxy)propylamine

7. 3-[3-(piperidinomethyl)phenoxy]propylamine

8. 3-{3-(piperidinomethyl)phenoxy}propylamine

9. 3-[3-(1-piperidinylmethyl)phenoxy]propanamine

10. 3-[3-[1-piperidinylmethyl]phenoxy]propanamine

11. 3-[3-(1-piperidinylmethyl)phenoxy]propylamine

12. 3-[3-(1-piperidylmethyl)phenoxy]-1-propanamine

13. Chembl353792

14. Schembl5288663

15. Dtxsid10436937

16. Bcp33841

17. Mfcd07787282

18. Zinc21992745

19. Akos015904214

20. 3-(m-piperidinomethylphenoxy)propylamine

21. N-[3-(3-aminopropoxy)benzyl]piperidine

22. 3-(3-piperidinomethylphenoxy)propylamine

23. N-[3-(3-aminopropoxy)benzyl] Piperidine

24. Sy293178

25. 3-[3-(piperidinomethyl)phenoxy]propaneamine

26. Cs-0455361

27. Ft-0641452

28. 3-[3-(1-piperidinomethyl)phenoxy]propylamine

29. 3-[3-(l-piperidinomethyl)phenoxyl]propytamine

30. N-3-[3-(piperidinomethyl)phenoxy]propylamine

31. 3-[3-(1-piperidinylmethyl) Phenoxy]propanamine

32. 3-[3-(1-piperidinylmethyl)phenoxy]propyl]amine

33. 3-[3-[(1-piperidinyl)methyl]phenoxy]propanamine

34. 3-[3-[(1-piperidinyl)methyl]phenoxy]propylamine

35. 278p985

36. 3-[3-(1-piperidinylmethyl)phenoxy]-1-propanamine

37. 3-[3-[(1-piperidinyl)-methyl]phenoxy]propylamine

38. 3-[3-[(1-piperidinyl)methyl]phenoxy]propaneamine

39. A837773

40. N-{3-[3-(1-piperidinomethyl)phenoxy]}propylamine

41. 3-[3-(1-piperidinylmethyl) Phenoxy]-1-propanamine

42. 3-{3-[(piperidin-1-yl)methyl]phenoxy}propan-1-amine

43. 3-[3-(1-piperidylmethyl)phenoxy]propan-1-amine;3-(3-(piperidin-1-ylmethyl)phenoxy)propan-1-amine

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₄N₂O
Molecular Weight	248.36 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	248.188863393 g/mol
Monoisotopic Mass	248.188863393 g/mol
Topological Polar Surface Area	38.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1