| CAS Number | 1423037-40-4 |
| Catalog Number | AG009X81(AGN-PC-0WADO9) |
| Chemical Name | Methyl 1-BOC-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate |
| IUPAC Name | 1-O-tert-butyl 4-O-methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1,4-dicarboxylate |
| InChI | InChI=1S/C16H27NO6/c1-6-22-12(18)11-16(13(19)21-5)7-9-17(10-8-16)14(20)23-15(2,3)4/h6-11H2,1-5H3 |
| InChI Key | YWLSLZDRDHVEFC-UHFFFAOYSA-N |
| MDL Number | MFCD23135961 |
| Molecular Formula | C16H27NO6 |
| Molecular Weight | 329.3887 |
| SMILES | CCOC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC |
| Synonyms | 1423037-40-4,
Methyl 1-BOC-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate,
SCHEMBL20423533,
KM5589,
ZINC95496029,
AKOS026673362,
V3194,
1-T-BUTYL 4-METHYL 4-(2-ETHOXY-2-OXOETHYL)PIPERIDINE-1,4-DICARBOXYLATE,
4-Methyl 1-(2-methyl-2-propanyl) 4-(2-ethoxy-2-oxoethyl)-1,4-piperidinedicarboxylate,
C16H27NO6,
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| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.393g/mol |
| Monoisotopic Mass | 329.184g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 82.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number