Benzoic acid, 3,4,5-trimethoxy-, 4-(4-phenyl-1-piperazinyl)butyl ester, dihydrochloride
Basic information
- CAS
5914-66-9- Standard SMILES
COc1cc(C(=O)OCCCCN2CCN(c3ccccc3)CC2)cc(OC)c1OC.Cl.Cl- InChIKey
WYVCERJDNQGFIK-UHFFFAOYSA-N- Molecular formula
- C24H34Cl2N2O5
- Average molar mass
- 501.4 g/mol
- Monoisotopic mass
- 500.1844776
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 4-(4-phenyl-1-piperazinyl)butyl ester, dihydrochloride
- IUPAC
- 4-(4-phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate;dihydrochloride
Names & synonyms
MA 568Benzoic acid, 3,4,5-trimethoxy-, 4-(4-phenyl-1-piperazinyl)butyl ester, dihydrochloride5914-66-9DTXSID102078814-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoate dihydrochloride3,4,5-Trimethoxybenzoic acid 4-(4-phenyl-1-piperazinyl)butyl ester dihydrochlorideRefChem:327007DTXCID60130372SD5BXR7WR3MA-5681-Piperazinebutanol, 4-phenyl-, 3,4,5-trimethoxybenzoate (ester), dihydrochloride4-(4-Phenyl-1-piperazinyl)butyl 3,4,5-trimethoxybenzoic acid dihydrochloride
Show more names
4-(4-Phenylpiperazin-1-yl)butyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/2)914-66-9
Database identifiers
- CAS
5914-66-9、914-66-9- PubChem CID
- 22204
- DTXSID
DTXSID10207881- UNII
- SD5BXR7WR3
Properties
Computed structural properties
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 506
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Compound notes
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