Basic information
- CAS
16785-29-8- Standard SMILES
COc1ccccc1N1CCN(CCCC(O)c2cc(OC)c(OC)c(OC)c2)CC1.Cl.Cl- InChIKey
FVXYXISSOSORGI-UHFFFAOYSA-N- Molecular formula
- C24H36Cl2N2O5
- Average molar mass
- 503.5 g/mol
- Monoisotopic mass
- 502.2001276
Names & identifiers
- Preferred name
- 1-Butanol, 4-(4-(o-methoxyphenyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, dihydrochloride
- IUPAC
- 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-ol;dihydrochloride
Names & synonyms
16785-29-81-Butanol, 4-(4-(o-methoxyphenyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, dihydrochloride4-(4-(o-Methoxyphenyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-1-butanol dihydrochloride4-(4-Hydroxy-4-(3,4,5-trimethoxyphenyl)butyl)-1-(o-methoxyphenyl)piperazine dihydrochlorideRefChem:228813DTXSID209374004-[4-(2-Methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
16785-29-8- PubChem CID
- 28072
- DTXSID
DTXSID20937400
Properties
Computed structural properties
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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