2-Buten-1-one, 1-phenyl-3-(4-phenyl-1-piperazinyl)-
Basic information
- CAS
76691-02-6- Standard SMILES
C/C(=C\C(=O)c1ccccc1)N1CCN(c2ccccc2)CC1- InChIKey
WPOIHWSVZGJDTJ-FBMGVBCBSA-N- Molecular formula
- C20H22N2O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.17321333
Names & identifiers
- Preferred name
- 2-Buten-1-one, 1-phenyl-3-(4-phenyl-1-piperazinyl)-
- IUPAC
- (E)-1-phenyl-3-(4-phenylpiperazin-1-yl)but-2-en-1-one
- English name
- 1-Phenyl-3-(4-phenyl-1-piperazinyl)-2-buten-1-one
- Molecular weight
- 0
Names & synonyms
2-Buten-1-one, 1-phenyl-3-(4-phenyl-1-piperazinyl)-76691-02-6RefChem:1062553BRN 45157321-Phenyl-3-(4-phenyl-1-piperazinyl)-2-buten-1-one
Database identifiers
- CAS
76691-02-6- PubChem CID
- 6447488
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
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Related reactions
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Compound notes
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