| CAS Number | 791642-61-0 |
| Catalog Number | AG00G9CL |
| Chemical Name | Tert-butyl 2-(2-(hydroxymethyl)piperidin-1-YL)acetate |
| IUPAC Name | tert-butyl 2-[2-(hydroxymethyl)piperidin-1-yl]acetate |
| InChI | InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)8-13-7-5-4-6-10(13)9-14/h10,14H,4-9H2,1-3H3 |
| InChI Key | YTPAFSWHBIHSFV-UHFFFAOYSA-N |
| MDL Number | MFCD16152271 |
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.3159 |
| SMILES | CC(C)(C)OC(=O)CN1CCCCC1CO |
| Synonyms | 791642-61-0,
TERT-BUTYL 2-(2-(HYDROXYMETHYL)PIPERIDIN-1-YL)ACETATE,
(2-Hydroxymethyl-piperidin-1-yl)-acetic acid tert-butyl ester,
SCHEMBL4333660,
YTPAFSWHBIHSFV-UHFFFAOYSA-N,
MFCD16152271,
AKOS009060671,
AS-39057,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.32g/mol |
| Monoisotopic Mass | 229.168g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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