| CAS Number | 1017163-16-4 |
| Catalog Number | AG019VJH |
| Chemical Name | 1-(3-phenoxypropanoyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(3-phenoxypropanoyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C15H19NO4/c17-14(8-11-20-13-4-2-1-3-5-13)16-9-6-12(7-10-16)15(18)19/h1-5,12H,6-11H2,(H,18,19) |
| InChI Key | JMMLELDJZKYDMM-UHFFFAOYSA-N |
| MDL Number | MFCD09809412 |
| Molecular Formula | C15H19NO4 |
| Molecular Weight | 277.3157 |
| SMILES | OC(C1CCN(C(CCOC2=CC=CC=C2)=O)CC1)=O |
| Synonyms | 1-(3-phenoxypropanoyl)piperidine-4-carboxylic acid,
1017163-16-4,
AC1Q74LL,
CTK7G2771,
ZINC11891562,
AKOS000154551,
MCULE-1629851780,
NE37619,
EN300-45439,
Z85886278,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.32g/mol |
| Monoisotopic Mass | 277.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number