| CAS Number | 1350475-42-1 |
| Catalog Number | AG009Y77(AGN-PC-0WG3V1) |
| Chemical Name | 1-tert-Butyl 4-methyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 4-O-methyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate |
| InChI | InChI=1S/C14H22N2O4/c1-13(2,3)20-12(18)16-9-6-14(5-8-15,7-10-16)11(17)19-4/h5-7,9-10H2,1-4H3 |
| InChI Key | UQRMOFVFJWSNEV-UHFFFAOYSA-N |
| MDL Number | MFCD18072615 |
| Molecular Formula | C14H22N2O4 |
| Molecular Weight | 282.3355 |
| SMILES | O=C(N1CCC(C(OC)=O)(CC#N)CC1)OC(C)(C)C |
| Synonyms | 1350475-42-1,
1-Boc-4-(Cyanomethyl)-4-Piperidine carboxylic Acid methyl Ester,
1-tert-Butyl 4-methyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate,
SCHEMBL15437243,
UQRMOFVFJWSNEV-UHFFFAOYSA-N,
BCP24969,
MFCD18072615,
ZINC91303421,
AKOS027255463,
AM805190,
DB-031494,
CS-0018090,
1-Boc-4-(cyanomethyl)-4-piperidinecarboxylic acid methyl ester,
1-(tert-Butyl) 4-methyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate,
1-O-tert-butyl 4-O-methyl 4-(cyanomethyl)piperidine-1,4-dicarboxylate,
1-TERT-BUTYL4-METHYL-4-(CYANOMETHYL)PIPERIDINE-1,4-DICARBOXYLATE,
N/A,
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| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.34g/mol |
| Monoisotopic Mass | 282.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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