for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CN(CCC1=CC(=O)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 1-[[2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea |
| InChIKey | CZMAYVNXNKBQKX-UHFFFAOYSA-N |
| INCHI | 1S/C21H20F3N5O4/c22-21(23,24)15-2-1-3-16(13-15)25-20(31)27-26-19(30)12-14-8-10-28(11-9-14)17-4-6-18(7-5-17)29(32)33/h1-7,12-13H,8-11H2,(H,26,30)(H2,25,27,31) |
| Isomeric SMILES | C1CN(CCC1=CC(=O)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-] |
| PubChem CID | 2765122 |
| Molecular Weight | 463.42 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Trifluoromethylbenzenes N-phenylureas Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Semicarbazides Amino acids and derivatives Carboxylic acid hydrazides Organic carbonic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organofluorides Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperidine - N-phenylurea - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Semicarbazide - Organic nitro compound - Amino acid or derivatives - Tertiary amine - Carboxylic acid hydrazide - C-nitro compound - Carbonic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organopnictogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Alkyl fluoride - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Carbonyl group - Organic zwitterion - Amine - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 463.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 463.147 Da |
| Monoisotopic Mass | 463.147 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 737.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-{2-[1-(4-nitrophenyl)-4-piperidinylidene]acetyl}-N-[3-(trifluoromethyl)phenyl]-1-hydrazinecarboxamide - CAS No(251310-57-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/1/N1027004.jpg)