| CAS Number | 944142-61-4 |
| Catalog Number | AG01E3LG |
| Chemical Name | 1-[(Tert-butoxy)carbonyl]-4-(2-methylpropyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C15H27NO4/c1-11(2)10-15(12(17)18)6-8-16(9-7-15)13(19)20-14(3,4)5/h11H,6-10H2,1-5H3,(H,17,18) |
| InChI Key | BPGRMXNUHVYMRV-UHFFFAOYSA-N |
| MDL Number | MFCD24857142 |
| Molecular Formula | C15H27NO4 |
| Molecular Weight | 285.3792 |
| SMILES | CC(CC1(C(O)=O)CCN(C(OC(C)(C)C)=O)CC1)C |
| Synonyms | 944142-61-4,
1-(TERT-BUTOXYCARBONYL)-4-ISOBUTYLPIPERIDINE-4-CARBOXYLIC ACID,
SCHEMBL89509,
BPGRMXNUHVYMRV-UHFFFAOYSA-N,
4-Isobutyl-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester,
AKOS012430862,
4-isobutylpiperidine-1,4-dicarboxylic acid monotertbutyl ester,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.384g/mol |
| Monoisotopic Mass | 285.194g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number