| CAS Number | 86928-09-8 |
| Catalog Number | AG01BE7Z(AGN-PC-001H3K) |
| Chemical Name | 1-(4-chlorobenzoyl)piperidin-4-ol |
| IUPAC Name | (4-chlorophenyl)-(4-hydroxypiperidin-1-yl)methanone |
| InChI | InChI=1S/C12H14ClNO2/c13-10-3-1-9(2-4-10)12(16)14-7-5-11(15)6-8-14/h1-4,11,15H,5-8H2 |
| InChI Key | VEXLZSWFSWYAON-UHFFFAOYSA-N |
| MDL Number | MFCD11610975 |
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.6981 |
| SMILES | OC1CCN(C(C2=CC=C(Cl)C=C2)=O)CC1 |
| Synonyms | 1-(4-chlorobenzoyl)piperidin-4-ol,
86928-09-8,
SCHEMBL11007666,
VEXLZSWFSWYAON-UHFFFAOYSA-N,
ZINC19780664,
AKOS008855869,
MCULE-2739036067,
NE46476,
1-(4-Chlorobenzoyl)-4-hydroxypiperidine,
Z85382751,
(4-chlorophenyl)(4-hydroxypiperidin-1-yl)methanone,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.699g/mol |
| Monoisotopic Mass | 239.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number