| CAS Number | 501673-75-2 |
| Catalog Number | AG00DPPC(AGN-PC-0S6RSE) |
| Chemical Name | tert-butyl 4-(2-methoxyphenylamino) piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-methoxyanilino)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-11-9-13(10-12-19)18-14-7-5-6-8-15(14)21-4/h5-8,13,18H,9-12H2,1-4H3 |
| InChI Key | QMDDDIHAPKMQKS-UHFFFAOYSA-N |
| MDL Number | MFCD11849741 |
| Molecular Formula | C17H26N2O3 |
| Molecular Weight | 306.3999 |
| SMILES | COC1=CC=CC=C1NC1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 501673-75-2,
tert-Butyl 4-(2-methoxyphenylamino) piperidine-1-carboxylate,
tert-Butyl 4-((2-methoxyphenyl)amino)piperidine-1-carboxylate,
SCHEMBL1673587,
QMDDDIHAPKMQKS-UHFFFAOYSA-N,
MFCD11849741,
ZINC78965762,
AS-44798,
1-Boc-4-[(2-methoxyphenyl)amino]piperidine,
4-(o-anisidino)-1-(tert-butoxycarbonyl)piperidine,
4-(2-methoxyphenylamino)-piperidine-1-carboxylic acid tert-butyl ester,
1-boc-4-[(2-methoxyphenyl)amino]-piperidine,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.406g/mol |
| Monoisotopic Mass | 306.194g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number