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2D Structure
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

2D Structure

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 Weight 324.4 g/mol
Molecular Formula C20H24N2O2
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass324.183778013 g/mol
Monoisotopic Mass324.183778013 g/mol
Topological Polar Surface Area41.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1