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Chemistry

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Also known as: Piperilate hydrochloride, 4544-15-4, Offterror, Pensanate, Phorbic, Pipenate
Molecular Formula
C21H26ClNO3
Molecular Weight
375.9  g/mol
InChI Key
ZJVKLBBPLUXEAC-UHFFFAOYSA-N
FDA UNII
07OS4SZ89Z

Piperilate Hydrochloride
1 2D Structure

Piperilate Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
2.1.2 InChI
InChI=1S/C21H25NO3.ClH/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;1H
2.1.3 InChI Key
ZJVKLBBPLUXEAC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl
2.2 Other Identifiers
2.2.1 UNII
07OS4SZ89Z
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Piperilate Hydrochloride

2. 4544-15-4

3. Offterror

4. Pensanate

5. Phorbic

6. Pipenate

7. Sycotrol

8. Pinate

9. Nsc-30793

10. 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride

11. 2-piperidinoethyl Benzilate Hydrochloride

12. 1-piperidineethanol Benzilate Hydrochloride

13. Pipethanate Hydrochloride (jan)

14. 2-(1-piperidino)ethyl Benzilate Hydrochloride

15. 07os4sz89z

16. Pipethanate Hydrochloride [jan]

17. Ncgc00181083-01

18. Pipethanate Hcl

19. Glymor (tn)

20. Dsstox_cid_27828

21. Dsstox_rid_82591

22. Dsstox_gsid_47850

23. Chembl3187518

24. Dtxsid2047850

25. Chebi:32008

26. Nsc30793

27. Wln: T6mtj B2ovxqr&r &gh

28. Tox21_112702

29. Piperilate Hydrochloride [mi]

30. Pipethanate Hydrochloride [who-dd]

31. Cas-4544-15-4

32. D01521

33. 1-piperidineethanol Benzilate (ester), Hydrochloride

34. Q27236318

35. Benzeneacetic Acid, 2-(1-piperidinyl)ethyl Ester, Hydrochloride

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

2.4 Create Date
2008-02-08
3 Chemical and Physical Properties
Molecular Weight 375.9 g/mol
Molecular Formula C21H26ClNO3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass375.1601214 g/mol
Monoisotopic Mass375.1601214 g/mol
Topological Polar Surface Area49.8 Ų
Heavy Atom Count26
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 Count2

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