1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (2R,4R)-4-methylpiperidine-2-carboxylate

2.1.2 InChI

InChI=1S/C9H17NO2/c1-3-12-9(11)8-6-7(2)4-5-10-8/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1

2.1.3 InChI Key

GHBNOCBWSUHAAA-HTQZYQBOSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1CC(CCN1)C

2.1.5 Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H](CCN1)C

2.2 Other Identifiers

2.2.1 UNII

FD6834ZGD5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 74892-82-3

2. (2r,4r)-ethyl 4-methylpiperidine-2-carboxylate

3. Ethyl (2r,4r)-4-methylpiperidine-2-carboxylate

4. 74863-85-7

5. Ethyl(2r,4r)-4-methyl-2-piperidinecarboxylate

6. (2r,4r)-4-methyl-2-piperidine Carboxylic Ethyl Ester

7. 2-piperidinecarboxylic Acid, 4-methyl-, Ethyl Ester, (2r-trans)-

8. Ethyl (2s,4r)-4-methylpipecolate

9. Fd6834zgd5

10. Schembl1577091

11. Ghbnocbwsuhaaa-htqzyqbosa-n

12. Dtxsid601246524

13. Mfcd03093749

14. Akos006276650

15. Ds-1647

16. A9574

17. Cs-0054081

18. Ethyl(2r,4r)-4-methylpiperidine-2-carboxylate

19. Ethyl (2r,4r)-rel-4-methylpiperidine-2-carboxylate

20. J-520472

21. (2r,4r)-ethyl-4-methyl-2-hexahydropyridinecarboxylate

22. 4-methyl-2-piperidinecarboxylic Acid Ethyl Ester, (2r,4r)-

23. 2-piperidinecarboxylic Acid, 4-methyl-, Ethyl Ester, (2r,4r)-

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₇NO₂
Molecular Weight	171.24 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	38.3
Heavy Atom Count	12
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

74892-82-3

74892-82-3

CHEMISTRY

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