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2D Structure
Also known as: Pipethanate, 4546-39-8, Pipethanate [inn], 1-piperidineethanol benzilate, 2-(1-piperidino)ethyl benzilate, 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate
Molecular Formula
C21H25NO3
Molecular Weight
339.4  g/mol
InChI Key
RZWPJFMNFATBEG-UHFFFAOYSA-N
FDA UNII
P32MG14U83

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate
2.1.2 InChI
InChI=1S/C21H25NO3/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2
2.1.3 InChI Key
RZWPJFMNFATBEG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
2.2 Other Identifiers
2.2.1 UNII
P32MG14U83
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Pipethanate

2. 4546-39-8

3. Pipethanate [inn]

4. 1-piperidineethanol Benzilate

5. 2-(1-piperidino)ethyl Benzilate

6. 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate

7. Benzilic Acid, 2-piperidinoethyl Ester

8. P32mg14u83

9. Pipethanate (inn)

10. Pipethanate; Beta-piperidylethyl Benzilate

11. Pipetanato

12. Pipethanatum

13. Pipetanato [inn-spanish]

14. Pipethanatum [inn-latin]

15. Beta-piperidylethyl Benzilate

16. Ncgc00181083-01

17. Brn 0385167

18. Unii-p32mg14u83

19. Piperilate [mi]

20. Alpha-hydroxy-alpha-phenylbenzeneacetic Acid 2-(1-piperidinyl)ethyl Ester

21. Benzeneacetic Acid, Alpha-hydroxy-alpha-phenyl-, 2-(1-piperidinyl)ethyl Ester

22. Schembl26493

23. Pipethanate [who-dd]

24. 4-20-00-00432 (beilstein Handbook Reference)

25. .beta.-piperidylethyl Benzilate

26. Chembl1722893

27. Dtxsid2023484

28. Chebi:135438

29. Zinc188746

30. Albb-035677

31. Benzeneacetic Acid, .alpha.-hydroxy-.alpha.-phenyl-, 2-(1-piperidinyl)ethyl Ester

32. Hy-105790

33. Cs-0026650

34. 2-piperidin-1-ylethyl Hydroxy(diphenyl)acetate

35. D08384

36. Q27286058

37. .alpha.-hydroxy-.alpha.-phenyl-, 2-(1-piperidinyl)ethyl Ester

38. .alpha.-hydroxy-.alpha.-phenylbenzeneacetic Acid 2-(1-piperidinyl)ethyl Ester

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 339.4 g/mol
Molecular Formula C21H25NO3
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass339.18344366 g/mol
Monoisotopic Mass339.18344366 g/mol
Topological Polar Surface Area49.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1