Basic information
- CAS
22013-22-5- Standard SMILES
CN1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1- InChIKey
OTKUTGIVEREJLL-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O
- Average molar mass
- 326.8 g/mol
- Monoisotopic mass
- 326.1185909
Overview
1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazine is an organic heterotricyclic compound and a N-alkylpiperazine.
Names & identifiers
- Preferred name
- 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin
- IUPAC
- 1-(3-chlorobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
Names & synonyms
2-Chloro-11-(4-methylpiperazino)dibenz(b,f)oxepin3Y353LOH79UNII-3Y353LOH7922013-22-52-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepinDTXSID7044003Piperazine, 1-(8-chlorodibenz(b,f)oxepin-10-yl)-4-methyl-RefChem:197719DTXCID5024003CHEMBL908822-CMDONCGC00024788-01
Show more names
Tocris-0782Biomol-NT_000046BPBio1_001273SCHEMBL10873714CHEBI:1135361-(3-chlorobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazineBDBM50028600NCGC00024788-02
Database identifiers
- CAS
22013-22-5- PubChem CID
- 32224
- DTXSID
DTXSID7044003- ChEMBL
CHEMBL90882- ChEBI
CHEBI:113536- UNII
- 3Y353LOH79
- Nikkaji
- J603.117J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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