Basic information
- CAS
1369290-72-1- Standard SMILES
Cc1cc(O)c(C(=O)C(C)CN2CCNCC2)c(C)c1Cl- InChIKey
QKFHFYQPLUVQFT-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O2
- Average molar mass
- 310.82 g/mol
- Monoisotopic mass
- 310.1448057
Names & identifiers
- Preferred name
- 1-(3-Chloro-6-hydroxy-2,4-dimethylphenyl)-2-methyl-3-(piperazin-1-yl)propan-1-one
- IUPAC
- 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
Names & synonyms
DTXSID5011314951-(3-Chloro-6-hydroxy-2,4-dimethylphenyl)-2-methyl-3-(piperazin-1-yl)propan-1-one1-Propanone, 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methyl-3-(1-piperazinyl)-1369290-72-1
Database identifiers
- CAS
1369290-72-1- PubChem CID
- 82265415
- DTXSID
DTXSID501131495
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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