CAS 61085-60-7

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4 End Use APIs
9 Related Intermediates

Chemistry

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Also known as: 61085-60-7, Methyl 4-anilino-1-benzylpiperidine-4-carboxylate, 4-(phenylamino]-1-benzyl-4-piperidinecarboxylic acid methyl ester, Ht0tl4gj6x, Mfcd02093804, Einecs 262-589-2

Molecular Formula

C₂₀H₂₄N₂O₂

Molecular Weight

324.4 g/mol

InChI Key

NPNNCHCGYDKUTA-UHFFFAOYSA-N

FDA UNII

HT0TL4GJ6X

1 2D Structure

CAS 61085-60-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-anilino-1-benzylpiperidine-4-carboxylate

2.1.2 InChI

InChI=1S/C20H24N2O2/c1-24-19(23)20(21-18-10-6-3-7-11-18)12-14-22(15-13-20)16-17-8-4-2-5-9-17/h2-11,21H,12-16H2,1H3

2.1.3 InChI Key

NPNNCHCGYDKUTA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC=C3

2.2 Other Identifiers

2.2.1 UNII

HT0TL4GJ6X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 61085-60-7

2. Methyl 4-anilino-1-benzylpiperidine-4-carboxylate

3. 4-(phenylamino]-1-benzyl-4-piperidinecarboxylic Acid Methyl Ester

4. Ht0tl4gj6x

5. Mfcd02093804

6. Einecs 262-589-2

7. Unii-ht0tl4gj6x

8. Mls003960117

9. Schembl3171094

10. Methyl 4-(phenylamino)-1-benzyl-4-piperidinecarboxylate

11. Dtxsid40209959

12. Methyl 4-(phenylamino)-1-(phenylmethyl)-4-piperidinecarboxylate

13. Zinc6661540

14. Akos005216046

15. As-47084

16. Smr002658437

17. Sy241361

18. Cs-0197682

19. F11957

20. A904149

21. Methyl 1-benzyl-4-anilino-4-piperidine Carboxylate

22. Remifentanil Hydrochloride Impurity J [ep Impurity]

23. Methyl4-(phenylamino)-1-(phenylmethyl)-4-piperidinecarboxylate

24. 1-benzyl-4-(phenylamino)piperidine-4-carboxylic Acid Methyl Ester

25. Methyl 4-(phenylamino)-1 (phenylmethyl)-4-piperidinecarboxylate

26. 4-piperidinecarboxylic Acid, 4-(phenylamino)-1-(phenylmethyl)-, Methyl Ester

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄N₂O₂
Molecular Weight	324.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	324.183778013 g/mol
Monoisotopic Mass	324.183778013 g/mol
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	392
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