| CAS Number | 1177350-80-9 |
| Catalog Number | AG00J15R(AGN-PC-0WB3CR) |
| Chemical Name | 3-phenyl-1-piperidin-3-ylpropan-1-one |
| IUPAC Name | 3-phenyl-1-piperidin-3-ylpropan-1-one |
| InChI | InChI=1S/C14H19NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2 |
| InChI Key | NEAGITLAIUKJGN-UHFFFAOYSA-N |
| MDL Number | MFCD09055255 |
| Molecular Formula | C14H19NO |
| Molecular Weight | 217.3068 |
| SMILES | C(CCC1C=CC=CC=1)(=O)C1CCCNC1 |
| Synonyms | 1177350-80-9,
3-phenyl-1-piperidin-3-ylpropan-1-one,
3-Phenyl-1-(piperidin-3-yl)propan-1-one,
ZX-CM003033,
MFCD09055255,
AKOS022306163,
3-Phenyl-1-(3-piperidinyl)-1-propanone,
Y-5086,
3-Phenyl-1-piperidin-3-ylpropan-1-one, AldrichCPR,
4005884-25G,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.312g/mol |
| Monoisotopic Mass | 217.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number