CAS 74892-82-3

Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

Virtual Booth

Contact Supplier

Kikkoman Biochemifa Company advances global health and safety through precision-driven innovation in biotech and food testing.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 2 Related Intermediates

1 Suppliers
1 End Use APIs
2 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 74892-82-3, (2r,4r)-ethyl 4-methylpiperidine-2-carboxylate, Ethyl (2r,4r)-4-methylpiperidine-2-carboxylate, 74863-85-7, Ethyl(2r,4r)-4-methyl-2-piperidinecarboxylate, (2r,4r)-4-methyl-2-piperidine carboxylic ethyl ester

Molecular Formula

C₉H₁₇NO₂

Molecular Weight

171.24 g/mol

InChI Key

GHBNOCBWSUHAAA-HTQZYQBOSA-N

FDA UNII

FD6834ZGD5

1 2D Structure

CAS 74892-82-3

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