| CAS Number | 910575-37-0 |
| Catalog Number | AG01A5U1 |
| Chemical Name | 4-(4-Benzylpiperazin-1-yl)oxane-4-carbonitrile |
| IUPAC Name | 4-(4-benzylpiperazin-1-yl)oxane-4-carbonitrile |
| InChI | InChI=1S/C17H23N3O/c18-15-17(6-12-21-13-7-17)20-10-8-19(9-11-20)14-16-4-2-1-3-5-16/h1-5H,6-14H2 |
| InChI Key | CUWWKXLRWJRGGE-UHFFFAOYSA-N |
| MDL Number | MFCD24843036 |
| Molecular Formula | C17H23N3O |
| Molecular Weight | 285.3840 |
| SMILES | N#CC1(N2CCN(CC3=CC=CC=C3)CC2)CCOCC1 |
| Synonyms | 4-(4-benzylpiperazin-1-yl)oxane-4-carbonitrile,
910575-37-0,
SCHEMBL3523156,
CUWWKXLRWJRGGE-UHFFFAOYSA-N,
ZINC95347953,
AKOS033684334,
FCH2896293,
NE27135,
EN300-130228,
Z1945698302,
4-(4-benzyl-piperazin-1-yl)-tetrahydropyran-4-carbonitrile,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.391g/mol |
| Monoisotopic Mass | 285.184g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number