| CAS Number | 494795-78-7 |
| Catalog Number | AG019ENT |
| Chemical Name | 1-[2-(piperidin-4-yl)phenyl]ethan-1-ol hydrochloride |
| IUPAC Name | 1-(2-piperidin-4-ylphenyl)ethanol;hydrochloride |
| InChI | InChI=1S/C13H19NO.ClH/c1-10(15)12-4-2-3-5-13(12)11-6-8-14-9-7-11;/h2-5,10-11,14-15H,6-9H2,1H3;1H |
| InChI Key | CPJGZLKGGFRVJM-UHFFFAOYSA-N |
| MDL Number | MFCD30099244 |
| Molecular Formula | C13H20ClNO |
| Molecular Weight | 241.7570 |
| SMILES | Cl.CC(O)c1ccccc1C1CCNCC1 |
| Synonyms | 1-(2-(Piperidin-4-yl)phenyl)ethanol hydrochloride,
494795-78-7,
1-(2-(Piperidin-4-yl)phenyl)ethan-1-ol hydrochloride,
SCHEMBL4676075,
CPJGZLKGGFRVJM-UHFFFAOYSA-N,
MFCD30099244,
CS-0060609,
1-(2-(4-Piperidyl)phenyl)ethan-1-ol hydrochloride,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.759g/mol |
| Monoisotopic Mass | 241.123g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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