Piperazine, 1-butyl-4-dibenz(b,f)oxepin-10-yl-
Basic information
- CAS
22012-09-5- Standard SMILES
CCCCN1CCN(C2=Cc3ccccc3Oc3ccccc32)CC1- InChIKey
VKGZNPUQAZGNBP-UHFFFAOYSA-N- Molecular formula
- C22H26N2O
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.20451346
Names & identifiers
- Preferred name
- Piperazine, 1-butyl-4-dibenz(b,f)oxepin-10-yl-
- IUPAC
- 1-benzo[b][1]benzoxepin-5-yl-4-butylpiperazine
Names & synonyms
RMI 61028Piperazine, 1-butyl-4-dibenz(b,f)oxepin-10-yl-22012-09-5BRN 05712231-Butyl-4-dibenz(b,f)oxepin-10-ylpiperazineDTXSID40176455RefChem:372557DTXCID80989461-butyl-4-(dibenzo[b,f]oxepin-10-yl)piperazine
Database identifiers
- CAS
22012-09-5- PubChem CID
- 210959
- DTXSID
DTXSID40176455
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 455
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Compound notes
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