Piperazine, 1-(6-chlorodibenz(b,f)oxepin-10-yl)-4-(3-pyridinylmethyl)-
Basic information
- CAS
56972-79-3- Standard SMILES
Clc1cccc2c1Oc1ccccc1C=C2N1CCN(Cc2cccnc2)CC1- InChIKey
VDHKSRJYFBGZRY-UHFFFAOYSA-N- Molecular formula
- C24H22ClN3O
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.14514
Names & identifiers
- Preferred name
- Piperazine, 1-(6-chlorodibenz(b,f)oxepin-10-yl)-4-(3-pyridinylmethyl)-
- IUPAC
- 1-(1-chlorobenzo[b][1]benzoxepin-5-yl)-4-(pyridin-3-ylmethyl)piperazine
Names & synonyms
RMI 61510Piperazine, 1-(6-chlorodibenz(b,f)oxepin-10-yl)-4-(3-pyridinylmethyl)-56972-79-3DTXSID202055501-(6-Chlorodibenz(b,f)oxepin-10-yl)-4-(3-pyridinylmethyl)piperazineRefChem:372415DTXCID501280411-(6-Chlorodibenzo[b,f]oxepin-10-yl)-4-[(pyridin-3-yl)methyl]piperazine
Database identifiers
- CAS
56972-79-3- PubChem CID
- 3044271
- DTXSID
DTXSID20205550
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 28.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
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Compound notes
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