| CAS Number | 886771-14-8 |
| Catalog Number | AG00IFC5(AGN-PC-0WR2RU) |
| Chemical Name | Tert-butyl 3-(pyridin-4-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 3-pyridin-4-ylpiperazine-1-carboxylate |
| InChI | InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-9-8-16-12(10-17)11-4-6-15-7-5-11/h4-7,12,16H,8-10H2,1-3H3 |
| InChI Key | WEMMCZNXZKRCMF-UHFFFAOYSA-N |
| MDL Number | MFCD08686236 |
| Molecular Formula | C14H21N3O2 |
| Molecular Weight | 263.3354 |
| SMILES | CC(OC(N1CC(C2=CC=NC=C2)NCC1)=O)(C)C |
| Synonyms | 886771-14-8,
TERT-BUTYL 3-(PYRIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE,
3-PYRIDIN-4-YL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
MFCD08686236,
AKOS027320336,
AB46920,
AS-42893,
Z2009848315,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.341g/mol |
| Monoisotopic Mass | 263.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number