| CAS Number | 1006044-27-4 |
| Catalog Number | AG00H99H(AGN-PC-0WD76X) |
| Chemical Name | 1-tert-Butyl 4-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 4-O-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate |
| InChI | InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-5-13(9-15,6-8-14)10(16)18-4/h15H,5-9H2,1-4H3 |
| InChI Key | UQZQXEFGHRYLNJ-UHFFFAOYSA-N |
| MDL Number | MFCD21362367 |
| Molecular Formula | C13H23NO5 |
| Molecular Weight | 273.3254 |
| SMILES | COC(C1(CCN(C(OC(C)(C)C)=O)CC1)CO)=O |
| Synonyms | 1-tert-butyl 4-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate,
1006044-27-4,
1-tert-butyl4-methyl4-(hydroxymethyl)piperidine-1,4-dicarboxylate,
SCHEMBL4295685,
UQZQXEFGHRYLNJ-UHFFFAOYSA-N,
MFCD21362367,
AKOS027253240,
ZINC148277744,
SB15559,
AS-51547,
CS-0047380,
1-O-tert-butyl 4-O-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.329g/mol |
| Monoisotopic Mass | 273.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number