| CAS Number | 953892-36-9 |
| Catalog Number | AG019MTK |
| Chemical Name | 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]ethan-1-ol |
| IUPAC Name | (2-amino-4-chlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone |
| InChI | InChI=1S/C14H19ClN2O2/c15-10-4-5-12(13(16)9-10)14(19)17-7-2-1-3-11(17)6-8-18/h4-5,9,11,18H,1-3,6-8,16H2 |
| InChI Key | VFKLFZCRLFGJSF-UHFFFAOYSA-N |
| MDL Number | MFCD09734965 |
| Molecular Formula | C14H19ClN2O2 |
| Molecular Weight | 282.7659 |
| SMILES | NC1=C(C(N2C(CCO)CCCC2)=O)C=CC(Cl)=C1 |
| Synonyms | 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]ethan-1-ol,
953892-36-9,
2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]ethanol,
AC1Q50TF,
CTK8A3832,
AKOS000143035,
AKOS016900793,
MCULE-5107484206,
NE21898,
EN300-37242,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.768g/mol |
| Monoisotopic Mass | 282.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number