Basic information
- CAS
16785-18-5- Standard SMILES
COc1cc(C(=O)CCCN2CCN(C)CC2)cc(OC)c1OC.Cl.Cl- InChIKey
HYFGOIAAMHGUFB-UHFFFAOYSA-N- Molecular formula
- C18H30Cl2N2O4
- Average molar mass
- 409.3 g/mol
- Monoisotopic mass
- 408.1582628
Names & identifiers
- Preferred name
- Butyrophenone, 4-(4-methylpiperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
- IUPAC
- 4-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one;dihydrochloride
Names & synonyms
16785-18-5BUTYROPHENONE, 4-(4-METHYLPIPERAZINYL)-3',4',5'-TRIMETHOXY-, DIHYDROCHLORIDE4-(4-Methylpiperazinyl)-3',4',5'-trimethoxybutyrophenone dihydrochlorideDTXSID301684051-Methyl-4-(3-(3,4,5-trimethoxybenzoyl)propyl)piperazine dihydrochloridePiperazine, 1-methyl-4-(3-(3,4,5-trimethoxybenzoyl)propyl)-, dihydrochlorideRefChem:331465DTXCID90908964-(4-Methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
16785-18-5- PubChem CID
- 28069
- DTXSID
DTXSID30168405
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…