| CAS Number | 1229457-94-6 |
| Catalog Number | AG009XZT(AGN-PC-0WNLVZ) |
| Chemical Name | 4-(4-iodo-pyrazol-1-yl)piperidine |
| EC Number | 639-824-6 |
| IUPAC Name | 4-(4-iodopyrazol-1-yl)piperidine |
| InChI | InChI=1S/C8H12IN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h5-6,8,10H,1-4H2 |
| InChI Key | GYYVRUODGBPRHC-UHFFFAOYSA-N |
| MDL Number | MFCD16622252 |
| Molecular Formula | C8H12IN3 |
| Molecular Weight | 277.1055 |
| SMILES | IC1=CN(C2CCNCC2)N=C1 |
| Synonyms | 4-(4-Iodo-1H-pyrazol-1-yl)piperidine,
1229457-94-6,
4-(4-iodo-pyrazol-1-yl)piperidine,
SCHEMBL15557166,
4-(4-iodopyrazol-1-yl)piperidine,
MFCD16622252,
ZINC67802391,
AKOS013751441,
1-(4-Piperidinyl)-4-iodo-1H-pyrazole,
CS-0038566,
FT-0721882,
F2167-2824,
4-(4-Iod-1H-pyrazol-1-yl)-piperidine,
EC 639-824-6,
4-(4-Iod-1H-pyrazol-1-yl)-piperidine, 4-(4-Iodo-1H-pyrazol-1-yl)piperidine,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.109g/mol |
| Monoisotopic Mass | 277.008g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number