| CAS Number | 203047-35-2 |
| Catalog Number | AG00I3TF(AGN-PC-0QTEZC) |
| Chemical Name | tert-Butyl 4-(3-cyanobenzyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[(3-cyanophenyl)methyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)20-9-7-19(8-10-20)13-15-6-4-5-14(11-15)12-18/h4-6,11H,7-10,13H2,1-3H3 |
| InChI Key | LHNLUSMHXRJUKL-UHFFFAOYSA-N |
| MDL Number | MFCD16620852 |
| Molecular Formula | C17H23N3O2 |
| Molecular Weight | 301.3834 |
| SMILES | CC(C)(C)OC(=O)N1CCN(Cc2cccc(c2)C#N)CC1 |
| Synonyms | tert-Butyl 4-(3-cyanobenzyl)piperazine-1-carboxylate,
203047-35-2,
tert-butyl 4-[(3-cyanophenyl)methyl]piperazine-1-carboxylate,
SCHEMBL8540941,
KS-00003HAA,
MFCD16620852,
ZINC98213394,
AKOS027252572,
AS-8184,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.39g/mol |
| Monoisotopic Mass | 301.179g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number