| CAS Number | 1089283-25-9 |
| Catalog Number | AG01AKZ1 |
| Chemical Name | 1-(3-Ethoxy-4-nitrophenyl)piperidin-4-ol |
| IUPAC Name | 1-(3-ethoxy-4-nitrophenyl)piperidin-4-ol |
| InChI | InChI=1S/C13H18N2O4/c1-2-19-13-9-10(3-4-12(13)15(17)18)14-7-5-11(16)6-8-14/h3-4,9,11,16H,2,5-8H2,1H3 |
| InChI Key | OPFTWSQGCRYECV-UHFFFAOYSA-N |
| MDL Number | MFCD19175034 |
| Molecular Formula | C13H18N2O4 |
| Molecular Weight | 266.2930 |
| SMILES | C(C)OC=1C=C(C=CC1[N+](=O)[O-])N1CCC(CC1)O |
| Synonyms | 1-(3-ethoxy-4-nitrophenyl)piperidin-4-ol,
1089283-25-9,
SCHEMBL310281,
OPFTWSQGCRYECV-UHFFFAOYSA-N,
ZINC71372499,
AKOS006254757,
MCULE-4193113073,
NE19941,
EN300-85717,
1-[3-(ethyloxy)-4-nitrophenyl]-4-piperidinol,
Z1258992714,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.297g/mol |
| Monoisotopic Mass | 266.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number