| CAS Number | 1116689-33-8 |
| Catalog Number | AG01C18Q |
| Chemical Name | Methyl 5-amino-2-(piperidin-1-yl)benzoate |
| IUPAC Name | methyl 5-amino-2-piperidin-1-ylbenzoate |
| InChI | InChI=1S/C13H18N2O2/c1-17-13(16)11-9-10(14)5-6-12(11)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,14H2,1H3 |
| InChI Key | GDVWBKZDTDVVAL-UHFFFAOYSA-N |
| MDL Number | MFCD29988521 |
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.2942 |
| SMILES | COC(C1=C(N2CCCCC2)C=CC(N)=C1)=O |
| Synonyms | methyl 5-amino-2-(piperidin-1-yl)benzoate,
1116689-33-8,
methyl 5-amino-2-piperidin-1-ylbenzoate,
SCHEMBL10261801,
BBL009627,
MFCD13344467,
STL140941,
ZINC41082156,
AKOS000111488,
MCULE-4020584138,
C13H18N2O2,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.299g/mol |
| Monoisotopic Mass | 234.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number