Basic information
- CAS
56071-23-9- Standard SMILES
Cc1cc2c(cc1C)[C@H](O)C(N1CCN(C)CC1)CCO2- InChIKey
KBSNTLZPSVLGIS-LWKPJOBUSA-N- Molecular formula
- C17H26N2O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.19942808
Names & identifiers
- Preferred name
- 7,8-Dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
- IUPAC
- (5S)-7,8-dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Names & synonyms
DTXSID3097145656071-23-97,8-dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-olRefChem:1074277DTXCID001398969BRN 0806461trans-7,8-Dimethyl-4-(4-methyl-1-piperazinyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-(4-methyl-1-piperazinyl)-, (E)-(5S)-7,8-dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Database identifiers
- CAS
56071-23-9- PubChem CID
- 41725
- DTXSID
DTXSID30971456
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
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