Basic information
- CAS
17766-74-4- Standard SMILES
COc1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc(OC)c1OC- InChIKey
VWOQOAJZTKQOBX-UHFFFAOYSA-N- Molecular formula
- C21H26N2O4
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.18925731
Names & identifiers
- Preferred name
- Ketone, 4-(m-tolyl)piperazinyl 3,4,5-trimethoxyphenyl
- IUPAC
- [4-(3-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Names & synonyms
BRN 16046431-(m-Tolyl)-4-(3,4,5-trimethoxybenzoyl)piperazine4-(m-Tolyl)piperazinyl 3,4,5-trimethoxyphenyl ketonePiperazine, 1-(m-tolyl)-4-(3,4,5-trimethoxybenzoyl)-17766-74-4KETONE, 4-(m-TOLYL)PIPERAZINYL 3,4,5-TRIMETHOXYPHENYL5-23-01-00188 (Beilstein Handbook Reference)RefChem:350424[4-(3-methylphenyl)piperazin-1-yl](3,4,5-trimethoxyphenyl)methanoneDTXSID60938971STL188584AKOS016608444
Show more names
Z165124402
Database identifiers
- CAS
17766-74-4- PubChem CID
- 28759
- DTXSID
DTXSID60938971- Nikkaji
- J41.582K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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