| CAS Number | 207798-38-7 |
| Catalog Number | AG00BSBN(AGN-PC-0QWLKF) |
| Chemical Name | 4-(4-Formyl-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 4-(4-formylphenoxy)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-10-8-15(9-11-18)21-14-6-4-13(12-19)5-7-14/h4-7,12,15H,8-11H2,1-3H3 |
| InChI Key | BSZYGTODZAFRDC-UHFFFAOYSA-N |
| MDL Number | MFCD09909952 |
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.3688 |
| SMILES | CC(OC(N1CCC(OC2=CC=C(C=O)C=C2)CC1)=O)(C)C |
| Synonyms | 207798-38-7,
tert-butyl 4-(4-formylphenoxy)piperidine-1-carboxylate,
4-(4-formyl-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester,
SCHEMBL224172,
CTK7H9478,
DTXSID20627152,
BSZYGTODZAFRDC-UHFFFAOYSA-N,
ZINC35635838,
DB-066322,
FT-0738387,
4-(1-t-butoxycarbonyl-4-piperidyloxy)benzaldehyde,
A1-11702,
t-Butyl 4-(4-formyl phenoxy)piperidine-1-carboxylate,
4-(4-Formyl-phenoxy)-piperidine-l-carboxylic acid tert-butyl ester,
4-(4-formylphenoxy)piperidine-1-carboxylic acid tert-butyl ester,
4- -PIPERIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.374g/mol |
| Monoisotopic Mass | 305.163g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number