| CAS Number | 327048-64-6 |
| Catalog Number | AG00C6QB |
| Chemical Name | N-(4-Fluorobenzyl)piperidine-4-carboxamide |
| IUPAC Name | N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide |
| InChI | InChI=1S/C13H17FN2O/c14-12-3-1-10(2-4-12)9-16-13(17)11-5-7-15-8-6-11/h1-4,11,15H,5-9H2,(H,16,17) |
| InChI Key | OTJIZCUKFIPVED-UHFFFAOYSA-N |
| MDL Number | MFCD08444679 |
| Molecular Formula | C13H17FN2O |
| Molecular Weight | 236.2853 |
| SMILES | O=C(C1CCNCC1)NCC2=CC=C(F)C=C2 |
| Synonyms | N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide,
N-(4-FLUOROBENZYL)PIPERIDINE-4-CARBOXAMIDE,
327048-64-6,
AC1Q4MFF,
SCHEMBL4037264,
CTK7G0058,
ZINC19410954,
AKOS000165070,
MCULE-2192332950,
NE33774,
EN300-43593,
J-523300,
CID10831687,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.29g/mol |
| Monoisotopic Mass | 236.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number