| CAS Number | 1186688-44-7 |
| Catalog Number | AG00HEPI(AGN-PC-0WQVP4) |
| Chemical Name | Benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate |
| IUPAC Name | benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate |
| InChI | InChI=1S/C15H21NO5/c1-19-15(20-2)8-9-16(10-13(15)17)14(18)21-11-12-6-4-3-5-7-12/h3-7,13,17H,8-11H2,1-2H3 |
| InChI Key | YSTGJBDNTNVBIP-UHFFFAOYSA-N |
| MDL Number | MFCD29917063 |
| Molecular Formula | C15H21NO5 |
| Molecular Weight | 295.3309 |
| SMILES | COC1(OC)C(O)CN(C(OCC2=CC=CC=C2)=O)CC1 |
| Synonyms | benzyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate,
1186688-44-7,
SCHEMBL961769,
YSTGJBDNTNVBIP-UHFFFAOYSA-N,
MFCD29917063,
TZ001246,
CS-0037119,
3-hydroxy-4,4-dimethoxy-1-piperidine carboxylic acid benzyl ester,
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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 | 295.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.335g/mol |
| Monoisotopic Mass | 295.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number