| CAS Number | 1183803-33-9 |
| Catalog Number | AG01A9IM |
| Chemical Name | 3-(3-fluorophenyl)-1-[(piperidin-3-yl)methyl]urea |
| IUPAC Name | 1-(3-fluorophenyl)-3-(piperidin-3-ylmethyl)urea |
| InChI | InChI=1S/C13H18FN3O/c14-11-4-1-5-12(7-11)17-13(18)16-9-10-3-2-6-15-8-10/h1,4-5,7,10,15H,2-3,6,8-9H2,(H2,16,17,18) |
| InChI Key | NRJBUWGDABYNSR-UHFFFAOYSA-N |
| MDL Number | MFCD12862412 |
| Molecular Formula | C13H18FN3O |
| Molecular Weight | 251.2999 |
| SMILES | FC1=CC(NC(NCC2CNCCC2)=O)=CC=C1 |
| Synonyms | 3-(3-fluorophenyl)-1-(piperidin-3-ylmethyl)urea,
1183803-33-9,
1-(3-fluorophenyl)-3-(piperidin-3-ylmethyl)urea,
AC1Q4LTH,
AKOS010257962,
NE20309,
EN300-65202,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.305g/mol |
| Monoisotopic Mass | 251.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number