| CAS Number | 1034912-50-9 |
| Catalog Number | AG019F0V(AGN-PC-0WG3PI) |
| Chemical Name | Methyl 2-phenyl-2-(piperidin-1-yl)propanoate |
| IUPAC Name | methyl 2-phenyl-2-piperidin-1-ylpropanoate |
| InChI | InChI=1S/C15H21NO2/c1-15(14(17)18-2,13-9-5-3-6-10-13)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3 |
| InChI Key | WJNPCNCJZVORFM-UHFFFAOYSA-N |
| MDL Number | MFCD22421119 |
| Molecular Formula | C15H21NO2 |
| Molecular Weight | 247.3327 |
| SMILES | COC(=O)C(C)(N1CCCCC1)c1ccccc1 |
| Synonyms | 1034912-50-9,
METHYL 2-PHENYL-2-(PIPERIDIN-1-YL)PROPANOATE,
Methyl 2-phenyl-2-piperidin-1-ylpropanoate,
2-Phenyl-2-piperidin-1-yl-propionic acid methyl ester,
SCHEMBL1682974,
WJNPCNCJZVORFM-UHFFFAOYSA-N,
MFCD22421119,
CS-0035920,
methyl 2-phenyl-2-(piperidin-1-yl)propanoate(WXC06568),
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.338g/mol |
| Monoisotopic Mass | 247.157g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number