2-[4-(2-Chlorophenyl)piperazin-1-yl]-1-phenylethanol
Basic information
- CAS
93994-96-8- Standard SMILES
OC(CN1CCN(c2ccccc2Cl)CC1)c1ccccc1- InChIKey
PNWMQQKQDQGVLS-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2O
- Average molar mass
- 316.8 g/mol
- Monoisotopic mass
- 316.134241
Names & identifiers
- Preferred name
- 2-[4-(2-Chlorophenyl)piperazin-1-yl]-1-phenylethanol
- IUPAC
- 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
Names & synonyms
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanolMLS001174591CHEMBL1366725DTXSID001333218HMS2909H21AKOS03415920093994-96-8SMR000596397SR-01000051955SR-01000051955-1Z313782642-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethan-1-ol
Database identifiers
- CAS
93994-96-8- PubChem CID
- 3930683
- DTXSID
DTXSID001333218- ChEMBL
CHEMBL1366725
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
Solubility41.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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