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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

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 Formula	C₂₁H₂₆ClNO₃
Molecular Weight	375.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	375.1601214 g/mol
Monoisotopic Mass	375.1601214 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	389
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	2

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07OS4SZ89Z

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