| CAS Number | 852218-14-5 |
| Catalog Number | AG019P3K |
| Chemical Name | 1-Acetyl-4-phenylpiperidine-4-carboxylic acid |
| IUPAC Name | 1-acetyl-4-phenylpiperidine-4-carboxylic acid |
| InChI | InChI=1S/C14H17NO3/c1-11(16)15-9-7-14(8-10-15,13(17)18)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,18) |
| InChI Key | KFZBKMCIJIEDGK-UHFFFAOYSA-N |
| MDL Number | MFCD06674624 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | CC(N1CCC(C2=CC=CC=C2)(C(O)=O)CC1)=O |
| Synonyms | 1-acetyl-4-phenylpiperidine-4-carboxylic acid,
852218-14-5,
AC1NGVDT,
AC1Q1KBZ,
CTK7I5824,
HMS1781L16,
ZINC4218994,
AKOS005207937,
MCULE-2927864815,
NE50864,
EN300-18575,
SR-01000066322,
SR-01000066322-1,
F2147-0586,
CID4780578,
1-acetyl-4-phenyl-piperidine-4-carboxylic Acid,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number