19395-40-5

1 2D Structure

19395-40-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-phenyl-2-piperidin-2-ylacetic acid;hydrochloride

2.1.2 InChI

InChI=1S/C13H17NO2.ClH/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16);1H

2.1.3 InChI Key

SCUMDQFFZZGUQY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 19395-40-5

2. Dl-erythro Ritalinic Acid Hydrochloride

3. Methylphenidate Carboxylic Acid

4. 2-phenyl-2-piperidin-2-ylacetic Acid;hydrochloride

5. 19130-92-8

6. Ritalinic Acid.hcl

7. Ritalinic Acid Hydrochloride

8. Methylphenidate Carboxylic Acid Hydrochloride

9. Alpha-phenyl-2-piperidineacetic Acid Hydrochloride

10. Methylphenidate Carboxylic Acid Hydrochloride (1.0mg/ml In Acetonitrile)

11. Ritalinic Acid Hydrochloride; Methylphenidate Related Compound A (usp); Methylphenidate Related Compound A As Hydrochloride

12. Schembl2988020

13. Scumdqffzzguqy-uhfffaoysa-n

14. Ritalinic Acid Hydrochloride Solution

15. Akos022183002

16. Cs-0449500

17. J-012364

18. Ritalinic Acid.hcl, 1mg/ml In Methanol (as Free Base)

19. 2-piperidineacetic Acid, A-phenyl-, Hydrochloride, (ar,2r)-

20. Ritalinic Acid Hydrochloride 1.0 Mg/ml In Methanol (as Free Base)

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₈ClNO₂
Molecular Weight	255.74 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	49.3
Heavy Atom Count	17
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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