| CAS Number | 1272756-52-1 |
| Catalog Number | AG00IWA8(AGN-PC-0WAYAI) |
| Chemical Name | Methyl 4-amino-3-(piperidin-1-yl)benzoate |
| IUPAC Name | methyl 4-amino-3-piperidin-1-ylbenzoate |
| InChI | InChI=1S/C13H18N2O2/c1-17-13(16)10-5-6-11(14)12(9-10)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,14H2,1H3 |
| InChI Key | DHMBWTUCCQKRAH-UHFFFAOYSA-N |
| MDL Number | MFCD18651782 |
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.2942 |
| SMILES | O=C(OC)C2(=CC(N1(CCCCC1))=C(N)C=C2) |
| Synonyms | methyl 4-amino-3-(piperidin-1-yl)benzoate,
1272756-52-1,
methylaminopiperidinylbenzoate,
CTK6I9762,
KS-000022YR,
ZX-AT013362,
MFCD18651782,
ZINC63110845,
AKOS015854739,
BF-0751,
MCULE-7865944325,
OR40545,
RP13468,
BC3837191,
TR-072393,
4-(Methoxycarbonyl)-2-(piperidin-1-yl)aniline,
1-[2-Amino-5-(methoxycarbonyl)phenyl]piperidine,
|
| 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