rel-(4-Methylphenyl)methyl (3R,4S)-3-fluoro-4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate

CAS Registry Number®

808733-05-3
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CAS Name

rel-(4-Methylphenyl)methyl (3R,4S)-3-fluoro-4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate

Molecular Formula

C19H23FN4O2

Molecular Mass

358.41

Cite this Page

rel-(4-Methylphenyl)methyl (3R,4S)-3-fluoro-4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=808733-05-3 (retrieved 2024-04-19) (CAS RN: 808733-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/s2

InChIKey

InChIKey=RECBFDWSXWAXHY-RXQGYGPJNA-N

SMILES

C(OCC1=CC=C(C)C=C1)(=O)N2C[C@@H](F)[C@@H](CNC=3N=CC=CN3)CC2

Canonical SMILES

O=C(OCC1=CC=C(C=C1)C)N2CCC(CNC3=NC=CC=N3)C(F)C2

Other Names for this Substance

  • 1-Piperidinecarboxylic acid, 3-fluoro-4-[(2-pyrimidinylamino)methyl]-, (4-methylphenyl)methyl ester, (3R,4S)-rel-
  • rel-(4-Methylphenyl)methyl (3R,4S)-3-fluoro-4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
  • cis-4-Methylbenzyl 3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

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