1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride

2.1.2 InChI

InChI=1S/C14H20N2O2.ClH/c1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H/t11-,13+;/m0./s1

2.1.3 InChI Key

QDXRLZBFPKVDHC-STEACBGWSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1207853-23-3

2. Mfcd22689536

3. Benzyl (2s,5r)-5-amino-2-methylpiperidine-1-carboxylate Hydrochloride

4. Benzyl (2s,5r)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride

5. (2s,5r)-benzyl 5-amino-2-methylpiperidine-1-carboxylate Hcl

6. Schembl376146

7. Ex-a4106

8. Akos030632922

9. (2s,5r)-5-amino-2-methylpiperidine-1-carboxylic Acid Benzyl Ester Hydrochloride

10. As-72547

11. Sy277454

12. Db-189675

13. (2s,5r)-1-cbz-5-amino-2-methylpiperidine Hcl

14. F552181

15. (2s,5r)-benzyl5-amino-2-methylpiperidine-1-carboxylatehydrochloride

16. Benzyl(2s,5r)-5-amino-2-methylpiperidine-1-carboxylatehydrochloride

17. Benzyl (2s,5r)-5-amino-2-methyl-piperidine-1-carboxylate Hydrochloride

18. Benzyl (2s,5r)-5-amino-2-methyl-piperidine-1-carboxylate;hydrochloride

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₁ClN₂O₂
Molecular Weight	284.78 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	55.6
Heavy Atom Count	19
Formal Charge	0
Complexity	277
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	2

(2S,5R)-Benzyl 5-amino-2-methylpiperidine-1-carboxylate Hydrochloride