| CAS Number | 1221722-12-8 |
| Catalog Number | AG019Y3C |
| Chemical Name | [(1-benzylpiperidin-2-yl)methyl]urea |
| IUPAC Name | (1-benzylpiperidin-2-yl)methylurea |
| InChI | InChI=1S/C14H21N3O/c15-14(18)16-10-13-8-4-5-9-17(13)11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H3,15,16,18) |
| InChI Key | YSRDPYAWPHYLON-UHFFFAOYSA-N |
| MDL Number | MFCD14705636 |
| Molecular Formula | C14H21N3O |
| Molecular Weight | 247.3360 |
| SMILES | NC(NCC1N(CC2=CC=CC=C2)CCCC1)=O |
| Synonyms | [(1-benzylpiperidin-2-yl)methyl]urea,
1221722-12-8,
EN300-56888,
AC1Q4ZX1,
AKOS034666906,
FCH2715483,
MCULE-7138791688,
NE24898,
BBV-49907029,
Z898476758,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.342g/mol |
| Monoisotopic Mass | 247.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number