Basic information
- CAS
4630-48-2- Standard SMILES
COc1cc(C(=O)OCCCCN2CCN(c3ccccc3)CC2)cc(OC)c1OC- InChIKey
RJRFVKJEQCCOTJ-UHFFFAOYSA-N- Molecular formula
- C24H32N2O5
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.23112213
Names & identifiers
- Preferred name
- 4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate
- IUPAC
- 4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate
Names & synonyms
4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoateX658872XF94630-48-24-(1-Phenyl-4-piperazinyl)butyl 3,4,5-trimethoxybenzoateBenzoic acid, 3,4,5-trimethoxy-, 4-(4-phenyl-1-piperazinyl)butyl ester
Database identifiers
- CAS
4630-48-2- PubChem CID
- 20747
- UNII
- X658872XF9
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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