2-(4-Ethylpiperazin-1-yl)-1-(4-methylphenyl)ethanone
Basic information
- CAS
726161-32-6- Standard SMILES
CCN1CCN(CC(=O)c2ccc(C)cc2)CC1- InChIKey
VDYQXOWWVGGPEY-UHFFFAOYSA-N- Molecular formula
- C15H22N2O
- Average molar mass
- 246.35 g/mol
- Monoisotopic mass
- 246.17321333
Names & identifiers
- Preferred name
- 2-(4-Ethylpiperazin-1-yl)-1-(4-methylphenyl)ethanone
- IUPAC
- 2-(4-ethylpiperazin-1-yl)-1-(4-methylphenyl)ethanone
Names & synonyms
2-(4-ethylpiperazin-1-yl)-1-(4-methylphenyl)ethanoneMLS001177923CHEMBL1589784SCHEMBL14924456DTXSID401323576HMS1762K01HMS2869F09AKOS008963689726161-32-6SMR000589028SR-01000039570SR-01000039570-1
Show more names
Z560420112-(4-ethylpiperazin-1-yl)-1-(4-methylphenyl)ethan-1-one
Database identifiers
- CAS
726161-32-6- PubChem CID
- 2385100
- DTXSID
DTXSID401323576- ChEMBL
CHEMBL1589784
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
Solubility32.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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