1-Butanone, 4-(4-(4-cyclopentylphenyl)-1-piperazinyl)-1-(4-fluorophenyl)-, (Z)-2-butenedioate
Basic information
- CAS
113682-12-5- Standard SMILES
O=C(CCCN1CCN(c2ccc(C3CCCC3)cc2)CC1)c1ccc(F)cc1.O=C(O)/C=C/C(=O)O- InChIKey
LAEIAGBGFLJNBY-WLHGVMLRSA-N- Molecular formula
- C29H35FN2O5
- Average molar mass
- 510.6 g/mol
- Monoisotopic mass
- 510.25300038
Names & identifiers
- Preferred name
- 1-Butanone, 4-(4-(4-cyclopentylphenyl)-1-piperazinyl)-1-(4-fluorophenyl)-, (Z)-2-butenedioate
- IUPAC
- (E)-but-2-enedioic acid;4-[4-(4-cyclopentylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
Names & synonyms
1-Butanone, 4-(4-(4-cyclopentylphenyl)-1-piperazinyl)-1-(4-fluorophenyl)-, (Z)-2-butenedioate113682-12-5RefChem:1055130Butyrophenone, 4-(4-(p-cyclopentylphenyl)-1-piperazinyl)-4'-fluoro-, maleate4-(4-(4-Cyclopentylphenyl)-1-piperazinyl)-1-(4-fluorophenyl)butan-1-one maleate
Database identifiers
- CAS
113682-12-5- PubChem CID
- 6450604
Properties
Computed structural properties
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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