CAS 2971-79-1

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Chemistry

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Also known as: 2971-79-1, Methyl piperidine-4-carboxylate, Methyl 4-piperidinecarboxylate, 4-piperidinecarboxylic acid, methyl ester, Isonipecotic acid methyl ester, Piperidine-4-carboxylic acid methyl ester

Molecular Formula

C₇H₁₃NO₂

Molecular Weight

143.18 g/mol

InChI Key

RZVWBASHHLFBJF-UHFFFAOYSA-N

1 2D Structure

CAS 2971-79-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl piperidine-4-carboxylate

2.1.2 InChI

InChI=1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3

2.1.3 InChI Key

RZVWBASHHLFBJF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1CCNCC1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2971-79-1

2. Methyl Piperidine-4-carboxylate

3. Methyl 4-piperidinecarboxylate

4. 4-piperidinecarboxylic Acid, Methyl Ester

5. Isonipecotic Acid Methyl Ester

6. Piperidine-4-carboxylic Acid Methyl Ester

7. Methylpiperidine-4-carboxylate

8. 4-piperidinecarboxylic Acid Methyl Ester

9. Methylisonipecotate

10. Methyl Piperidin-4-carboxylate

11. Mfcd00190578

12. Isonipecotic Acid Methyl

13. 4-methoxycarbonylpiperidine

14. Schembl5163

15. Methyl-4-piperidinecarboxylate

16. Isonipecotic Acid Methvl Ester

17. Methyl 4-piperidinylcarboxylate

18. Methyl 4-piperidine Carboxylate

19. Methyl 4-piperidinecarboxylate #

20. Zinc403131

21. Act02120

22. Methyl Isonipecotate, Technical Grade

23. Akos000120869

24. Ab04510

25. Cs-w016419

26. Gs-6893

27. Ac-22463

28. Piperadine-4-carboxylic Acid Methyl Ester

29. Db-004059

30. Am20090394

31. Ft-0628746

32. M2075

33. En300-21425

34. F11229

35. A820022

36. J-017611

37. J-522626

38. F2190-0333

39. Methyl Piperidine-4-carboxylate; Methyl 4-piperidinecarboxylate; 4-piperidinecarboxylic Acid Methyl Ester;methyl Piperidine-4-carboxylate

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₃NO₂
Molecular Weight	143.18 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	38.3
Heavy Atom Count	10
Formal Charge	0
Complexity	119
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