Basic information
- CAS
27618-46-8- Standard SMILES
COc1cc(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC.Cl- InChIKey
SCFIIZGOSXUSCD-UHFFFAOYSA-N- Molecular formula
- C22H28Cl2N2O4
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 454.1426128
Names & identifiers
- Preferred name
- 1-Propanone, 3-(4-(3-chlorophenyl)-1-piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride (1:1)
- IUPAC
- 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride
Names & synonyms
27618-46-8Propiophenone, 3-(4-(m-chlorophenyl)-1-piperazinyl)-3',4',5'-trimethoxy-, monohydrochlorideDTXSID30182005RefChem:1056977DTXCID001044961-Propanone, 3-(4-(3-chlorophenyl)-1-piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride (1:1)3-(4-(m-Chlorophenyl)-1-piperazinyl)-3',4',5'-trimethoxypropiophenone hydrochloride3-[4-(3-Chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
27618-46-8- PubChem CID
- 214049
- DTXSID
DTXSID30182005
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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