| CAS Number | 1401966-70-8 |
| Catalog Number | AG00HVRV(AGN-PC-0WG440) |
| Chemical Name | tert-Butyl 4-((4-(hydroxymethyl)piperidin-1-yl)methyl)benzoate |
| IUPAC Name | tert-butyl 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoate |
| InChI | InChI=1S/C18H27NO3/c1-18(2,3)22-17(21)16-6-4-14(5-7-16)12-19-10-8-15(13-20)9-11-19/h4-7,15,20H,8-13H2,1-3H3 |
| InChI Key | QGOWPUGITGXQEJ-UHFFFAOYSA-N |
| MDL Number | MFCD28405018 |
| Molecular Formula | C18H27NO3 |
| Molecular Weight | 305.4119 |
| SMILES | CC(C)(C)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 |
| Synonyms | tert-Butyl 4-((4-(hydroxymethyl)piperidin-1-yl)methyl)benzoate,
1401966-70-8,
tert-butyl 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoate,
SCHEMBL12814152,
QGOWPUGITGXQEJ-UHFFFAOYSA-N,
MFCD28405018,
AKOS027255820,
ZINC147209976,
CS-0035500,
tert-butyl 4((4-(hydroxymethyl)piperidin-1-yl)methyl)benzoate,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.418g/mol |
| Monoisotopic Mass | 305.199g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number