| CAS Number | 1401966-71-9 |
| Catalog Number | AG00HVRW(AGN-PC-0WQXSM) |
| Chemical Name | tert-Butyl 4-((4-formylpiperidin-1-yl)methyl)benzoate |
| IUPAC Name | tert-butyl 4-[(4-formylpiperidin-1-yl)methyl]benzoate |
| InChI | InChI=1S/C18H25NO3/c1-18(2,3)22-17(21)16-6-4-14(5-7-16)12-19-10-8-15(13-20)9-11-19/h4-7,13,15H,8-12H2,1-3H3 |
| InChI Key | RYHXPJCANICSEF-UHFFFAOYSA-N |
| MDL Number | MFCD28405019 |
| Molecular Formula | C18H25NO3 |
| Molecular Weight | 303.3960 |
| SMILES | O=C(OC(C)(C)C)C1=CC=C(CN2CCC(C=O)CC2)C=C1 |
| Synonyms | tert-butyl 4-((4-formylpiperidin-1-yl)methyl)benzoate,
1401966-71-9,
tert-butyl 4-[(4-formylpiperidin-1-yl)methyl]benzoate,
SCHEMBL12813914,
RYHXPJCANICSEF-UHFFFAOYSA-N,
MFCD28405019,
AKOS027255821,
ZINC147154623,
CS-0035909,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.402g/mol |
| Monoisotopic Mass | 303.183g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number