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ACTIVE PHARMA INGREDIENTS

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Also known as: 81270-37-3, Methyl (4-piperidyl)acetate hydrochloride, Methyl 4-piperidineacetate hydrochloride, Piperidin-4-yl-acetic acid methyl ester hydrochloride, Methyl (piperidin-4-yl)acetate hcl, Methyl 2-piperidin-4-ylacetate;hydrochloride

Molecular Formula

C₈H₁₆ClNO₂

Molecular Weight

193.67 g/mol

InChI Key

ADBDFGZYGJGDNJ-UHFFFAOYSA-N

1 2D Structure

Methyl 4-Piperidineacetate HCl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-piperidin-4-ylacetate;hydrochloride

2.1.2 InChI

InChI=1S/C8H15NO2.ClH/c1-11-8(10)6-7-2-4-9-5-3-7;/h7,9H,2-6H2,1H3;1H

2.1.3 InChI Key

ADBDFGZYGJGDNJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)CC1CCNCC1.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 81270-37-3

2. Methyl (4-piperidyl)acetate Hydrochloride

3. Methyl 4-piperidineacetate Hydrochloride

4. Piperidin-4-yl-acetic Acid Methyl Ester Hydrochloride

5. Methyl (piperidin-4-yl)acetate Hcl

6. Methyl 2-piperidin-4-ylacetate;hydrochloride

7. 4-piperidineacetic Acid, Methyl Ester, Hydrochloride

8. Mfcd09261419

9. Methyl Piperidin-4-ylacetate Hydrochloride

10. Piperidin-4-yl-acetic Acid Methyl Ester Hcl

11. Schembl662153

12. (4-piperidyl)acetic Acid Methyl Ester Hydrochloride

13. 4-piperidine Acetic Acid Methyl Ester Hydrochloride

14. Dtxsid90593633

15. Act05231

16. Amy25023

17. Akos015845943

18. Methyl 4-piperidylacetate Hydrochloride

19. Ab50157

20. Cs-w001893

21. Methyl 2-(piperidin-4-yl)acetate Hcl

22. Ps-8311

23. Wt81938

24. Methyl-4-piperidyl-acetate-hydrochloride

25. Ac-24845

26. Sy014723

27. (4-piperidyl)acetic Acid Methyl Ester Hcl

28. Db-075755

29. Ft-0630044

30. M1926

31. A854892

32. J-521711

33. 4-piperidineacetic Acid, Methyl Ester, Hydrochloride (9ci)

34. Methyl (piperidin-4-yl)acetate--hydrogen Chloride (1/1)

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₆ClNO₂
Molecular Weight	193.67 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	193.0869564 g/mol
Monoisotopic Mass	193.0869564 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
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