| CAS Number | 1027345-51-2 |
| Catalog Number | AG00H9UN(AGN-PC-0WR277) |
| Chemical Name | TERT-BUTYL 3-(N-BENZYL-N-METHYLAMINO) PIPERIDINE-1-CARBOXYLATE |
| IUPAC Name | tert-butyl 3-[benzyl(methyl)amino]piperidine-1-carboxylate |
| InChI | InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-12-8-11-16(14-20)19(4)13-15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14H2,1-4H3 |
| InChI Key | QZFCAOGECMVMDZ-UHFFFAOYSA-N |
| MDL Number | MFCD16620821 |
| Molecular Formula | C18H28N2O2 |
| Molecular Weight | 304.4271 |
| SMILES | CN(C1CCCN(C1)C(=O)OC(C)(C)C)Cc1ccccc1 |
| Synonyms | 1027345-51-2,
tert-Butyl 3-(N-benzyl-N-methylamino) piperidine-1-carboxylate,
tert-Butyl 3-(benzyl(methyl)amino)piperidine-1-carboxylate,
tert-butyl 3-[benzyl(methyl)amino]piperidine-1-carboxylate,
SCHEMBL20281450,
MFCD16620821,
tert-butyl 3-(n-benzyl-n-methylamino)piperidine-1-carboxylate,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.434g/mol |
| Monoisotopic Mass | 304.215g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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