| CAS Number | 1582575-26-5 |
| Catalog Number | AG00J0NO(AGN-PC-0WAYKS) |
| Chemical Name | 4-tert-Butyl-N-[(piperidin-3-yl)methyl]benzamide hydrochloride |
| IUPAC Name | 4-tert-butyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride |
| InChI | InChI=1S/C17H26N2O.ClH/c1-17(2,3)15-8-6-14(7-9-15)16(20)19-12-13-5-4-10-18-11-13;/h6-9,13,18H,4-5,10-12H2,1-3H3,(H,19,20);1H |
| InChI Key | FBHJBULIICCZMT-UHFFFAOYSA-N |
| MDL Number | MFCD28041313 |
| Molecular Formula | C17H27ClN2O |
| Molecular Weight | 310.8621 |
| SMILES | Cl.C(C)(C)(C)C1=CC=C(C(=O)NCC2CNCCC2)C=C1 |
| Synonyms | 1582575-26-5,
4-tert-butyl-N-(piperidin-3-ylmethyl)benzamide hydrochloride,
4-tert-butyl-N-[(piperidin-3-yl)methyl]benzamide hydrochloride,
KS-000023CP,
HTS000027,
MFCD28041313,
AKOS025392455,
BS-3424,
4-t-Butyl-N-(piperidin-3-ylmethyl)benzamide hydrochloride,
4-tert-Butyl-N-(piperidin-3-ylmethyl)-benzamide hydrochloride,
1016494-19-1,
C17H27ClN2O,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.866g/mol |
| Monoisotopic Mass | 310.181g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number