| CAS Number | 147958-89-2 |
| Catalog Number | AG019JYW(AGN-PC-0KGX4X) |
| Chemical Name | 1-(3-phenylprop-2-enoyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(3-phenylprop-2-enoyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C15H17NO3/c17-14(7-6-12-4-2-1-3-5-12)16-10-8-13(9-11-16)15(18)19/h1-7,13H,8-11H2,(H,18,19) |
| InChI Key | BARCAQQBDOOISH-UHFFFAOYSA-N |
| MDL Number | MFCD06353497 |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.3004 |
| SMILES | OC(C1CCN(C(C=CC2=CC=CC=C2)=O)CC1)=O |
| Synonyms | 1-(3-phenylprop-2-enoyl)piperidine-4-carboxylic Acid,
147958-89-2,
AC1N87SL,
CTK7G2765,
MCULE-4582242815,
Z56347578,
CID4339549,
1-[(2E)-3-phenylprop-2-enoyl]piperidine-4-carboxylic acid,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.305g/mol |
| Monoisotopic Mass | 259.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number