3-(4-Benzylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one

HCID 206282

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Basic information

CAS: 47375-47-3
Standard SMILES: CC(CN1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
InChIKey: ZOLUSXMQTNDPER-UHFFFAOYSA-N
Molecular formula: C21H26N2O
Average molar mass: 322.4 g/mol
Monoisotopic mass: 322.20451346

Names & identifiers

Preferred name: 3-(4-Benzylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
IUPAC: 3-(4-benzylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one

Names & synonyms

47375-47-3DTXSID509638183-(4-benzylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-oneRefChem:1066777DTXCID3013915482-Methyl-1-phenyl-3-(4-(phenylmethyl)-1-piperazinyl)-1-propanone1-Propanone, 2-methyl-1-phenyl-3-(4-(phenylmethyl)-1-piperazinyl)-

Database identifiers

CAS: 47375-47-3
PubChem CID: 206282
DTXSID: DTXSID50963818

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 377

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