| CAS Number | 1157186-21-4 |
| Catalog Number | AG019Y7J |
| Chemical Name | N-(oxan-4-yl)-1-(prop-2-yn-1-yl)piperidin-4-amine |
| IUPAC Name | N-(oxan-4-yl)-1-prop-2-ynylpiperidin-4-amine |
| InChI | InChI=1S/C13H22N2O/c1-2-7-15-8-3-12(4-9-15)14-13-5-10-16-11-6-13/h1,12-14H,3-11H2 |
| InChI Key | ZXSMKOFWOUVRKX-UHFFFAOYSA-N |
| MDL Number | MFCD12056427 |
| Molecular Formula | C13H22N2O |
| Molecular Weight | 222.3266 |
| SMILES | C#CCN1CCC(NC2CCOCC2)CC1 |
| Synonyms | N-(oxan-4-yl)-1-(prop-2-yn-1-yl)piperidin-4-amine,
EN300-57296,
1157186-21-4,
AC1Q286G,
CTK5J0763,
ZINC37269624,
AKOS009966136,
MCULE-2076599744,
NE42620,
BC4222800,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.332g/mol |
| Monoisotopic Mass | 222.173g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number