| CAS Number | 943816-76-0 |
| Catalog Number | AG00II3X(AGN-PC-0WBQ6V) |
| Chemical Name | 1-(4-Aminophenyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(4-aminophenyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C12H16N2O2/c13-10-1-3-11(4-2-10)14-7-5-9(6-8-14)12(15)16/h1-4,9H,5-8,13H2,(H,15,16) |
| InChI Key | LGEIAIUCXVOVKY-UHFFFAOYSA-N |
| MDL Number | MFCD19374333 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | NC1=CC=C(N2CCC(C(O)=O)CC2)C=C1 |
| Synonyms | 1-(4-aminophenyl)piperidine-4-carboxylic acid,
943816-76-0,
SCHEMBL3570102,
ZINC61957960,
AKOS015958097,
MCULE-1917888602,
4-Piperidinecarboxylic acid, 1-(4-aminophenyl)-,
1-(4-AMINOPHENYL)-4-PIPERIDINECARBOXYLIC ACID,
F2145-0681,
1-(4-aminophenyl)piperidine-4-carboxylic acid hydrochloride,
L-3700,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number