| CAS Number | 502639-39-6 |
| Catalog Number | AG00DJS3(AGN-PC-09OGAA) |
| Chemical Name | Benzyl 3-Acetylpiperidine-1-Carboxylate |
| IUPAC Name | benzyl 3-acetylpiperidine-1-carboxylate |
| InChI | InChI=1S/C15H19NO3/c1-12(17)14-8-5-9-16(10-14)15(18)19-11-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3 |
| InChI Key | CXRLRAPGUPJJTN-UHFFFAOYSA-N |
| MDL Number | MFCD09953373 |
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.3163 |
| SMILES | O=C(N1CC(C(C)=O)CCC1)OCC2=CC=CC=C2 |
| Synonyms | Benzyl 3-acetylpiperidine-1-carboxylate,
502639-39-6,
Benzyl3-acetylpiperidine-1-carboxylate,
3-Acetyl-piperidine-1-carboxylic acid benzyl ester,
SCHEMBL2180966,
CTK4J2326,
DTXSID60693139,
CXRLRAPGUPJJTN-UHFFFAOYSA-N,
1-N-CBZ-3-ACETYLPIPERIDINE,
3852AJ,
AKOS016013035,
RP29307,
FT-0755869,
Z-7773,
J-519827,
C15H19NO3,
1-Piperidinecarboxylic acid, 3-acetyl-, phenylmethyl ester,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.321g/mol |
| Monoisotopic Mass | 261.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number