| CAS Number | 80020-14-0 |
| Catalog Number | AG01B1YZ(AGN-PC-0269AO) |
| Chemical Name | 4-(Piperidine-1-carbonyl)benzaldehyde |
| IUPAC Name | 4-(piperidine-1-carbonyl)benzaldehyde |
| InChI | InChI=1S/C13H15NO2/c15-10-11-4-6-12(7-5-11)13(16)14-8-2-1-3-9-14/h4-7,10H,1-3,8-9H2 |
| InChI Key | UITGRKOJUBJCHX-UHFFFAOYSA-N |
| MDL Number | MFCD16309689 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | O=CC1=CC=C(C(N2CCCCC2)=O)C=C1 |
| Synonyms | 4-(piperidine-1-carbonyl)benzaldehyde,
80020-14-0,
p-piperidinocarbonylbenzaldehyde,
SCHEMBL6617073,
1-(4'-formylbenzoyl)piperidine,
UITGRKOJUBJCHX-UHFFFAOYSA-N,
AKOS015996440,
4-(Piperidin-1-ylcarbonyl)benzaldehyde,
AM81022,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.268g/mol |
| Monoisotopic Mass | 217.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number