Basic information
- CAS
56177-72-1- Standard SMILES
Cc1cc2c(cc1C)[C@H](O)[C@H](N1CCN(C)CC1)CCO2- InChIKey
KBSNTLZPSVLGIS-WBVHZDCISA-N- Molecular formula
- C17H26N2O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.19942808
Names & identifiers
- Preferred name
- 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-(4-methyl-1-piperazinyl)-, (Z)-
- IUPAC
- (4R,5S)-7,8-dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Names & synonyms
1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-(4-methyl-1-piperazinyl)-, (Z)-56177-72-1RefChem:1054936BRN 0806461cis-7,8-Dimethyl-4-(4-methyl-1-piperazinyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Database identifiers
- CAS
56177-72-1- PubChem CID
- 41773
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…