(4-Methylphenyl)methyl 3-fluoro-4-{[(pyrimidin-2-yl)amino]methyl}piperidine-1-carboxylate (CHEM101259)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 12:15:19 UTC | ||||||||
| Update Date | 2026-05-14 19:16:45 UTC | ||||||||
| Accession Number | CHEM101259 | ||||||||
| Identification | |||||||||
| Common Name | (4-Methylphenyl)methyl 3-fluoro-4-{[(pyrimidin-2-yl)amino]methyl}piperidine-1-carboxylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C19H23FN4O2 | ||||||||
| Average Molecular Mass | 358.417 g/mol | ||||||||
| Monoisotopic Mass | 358.181 g/mol | ||||||||
| CAS Registry Number | 808732-98-1 | ||||||||
| IUPAC Name | (4-methylphenyl)methyl (3S,4R)-3-fluoro-4-{[(pyrimidin-2-yl)amino]methyl}piperidine-1-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC=C(COC(=O)N2CC[C@H](CNC3=NC=CC=N3)[C@H](F)C2)C=C1 | ||||||||
| InChI Identifier | InChI=1S/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-/m1/s1 | ||||||||
| InChI Key | RECBFDWSXWAXHY-IAGOWNOFSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
