Basic information
- Standard SMILES
CC(C)N1CCN(C(=O)CCC(=NO)c2ccccc2)CC1- InChIKey
KZGXXOWDQQQQEK-UHFFFAOYSA-N- Molecular formula
- C17H25N3O2
- Average molar mass
- 303.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Isopropylpiperazin-1-yl)-4-phenylbutane-1,4-dione 4-oxime
- IUPAC
- 4-hydroxyimino-4-phenyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
Names & synonyms
SCHEMBL5098842KZGXXOWDQQQQEK-UHFFFAOYSA-N1-(4-Isopropylpiperazin-1-yl)-4-phenylbutane-1,4-dione 4-oxime
Database identifiers
- PubChem CID
- 86603602
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
3 records
Compound notes
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