| CAS Number | 194738-09-5 |
| Catalog Number | AG01DZ8E(AGN-PC-06LYPU) |
| Chemical Name | 3-(Piperidine-1-carbonyl)benzoic acid |
| IUPAC Name | 3-(piperidine-1-carbonyl)benzoic acid |
| InChI | InChI=1S/C13H15NO3/c15-12(14-7-2-1-3-8-14)10-5-4-6-11(9-10)13(16)17/h4-6,9H,1-3,7-8H2,(H,16,17) |
| InChI Key | DUWCZANZDLDVDP-UHFFFAOYSA-N |
| MDL Number | MFCD09759152 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | OC(C1=CC(C(N2CCCCC2)=O)=CC=C1)=O |
| Synonyms | 3-(Piperidine-1-carbonyl)benzoic acid,
194738-09-5,
CHEMBL61035,
SCHEMBL15076720,
ZINC29564727,
AKOS006036288,
Benzoic acid, 3-(1-piperidinylcarbonyl)-,
3-(piperidin-1-ylcarbonyl)benzoic acid, AldrichCPR,
Benzoicacid,3-(1-piperidinylcarbonyl)-,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number