| CAS Number | 1269054-13-8 |
| Catalog Number | AG00J15V(AGN-PC-0WB6AR) |
| Chemical Name | 2-Phenyl-1-(3-piperidinyl)ethanone hydrate |
| IUPAC Name | 2-phenyl-1-piperidin-3-ylethanone;hydrate |
| InChI | InChI=1S/C13H17NO.H2O/c15-13(12-7-4-8-14-10-12)9-11-5-2-1-3-6-11;/h1-3,5-6,12,14H,4,7-10H2;1H2 |
| InChI Key | ZYXVJGLPWWOVCO-UHFFFAOYSA-N |
| MDL Number | MFCD09864251 |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.2955 |
| SMILES | O=C(C1CCCNC1)Cc1ccccc1.O |
| Synonyms | 2-Phenyl-1-(3-piperidinyl)ethanone hydrate,
1269054-13-8,
2-Phenyl-1-(piperidin-3-yl)ethanone hydrate,
ZX-CM003032,
MFCD13193868,
AKOS027426297,
2-Phenyl-1-piperidin-3-ylethanone hydrate, AldrichCPR,
1177327-57-9,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.3g/mol |
| Monoisotopic Mass | 221.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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