Piperazine, 1-(2-(6,11-dihydrodibenz(b,e)oxepin-6-yl)ethyl)-4-methyl-, dihydrochloride, (+-)-
Basic information
- CAS
86640-24-6- Standard SMILES
CN1CCN(CCC2Oc3ccccc3Cc3ccccc32)CC1.Cl.Cl- InChIKey
JNYSFIUZVOBNAL-UHFFFAOYSA-N- Molecular formula
- C21H28Cl2N2O
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 394.1578689
Names & identifiers
- Preferred name
- Piperazine, 1-(2-(6,11-dihydrodibenz(b,e)oxepin-6-yl)ethyl)-4-methyl-, dihydrochloride, (+-)-
- IUPAC
- 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]-4-methylpiperazine;dihydrochloride
Names & synonyms
(+-)-1-(2-(6,11-Dihydrodibenz(b,e)oxepin-6-yl)ethyl)-4-methylpiperazine dihydrochloride86640-24-6Piperazine, 1-(2-(6,11-dihydrodibenz(b,e)oxepin-6-yl)ethyl)-4-methyl-, dihydrochloride, (+-)-RefChem:371988DTXSID9010069831-[2-(6,11-Dihydrodibenzo[b,e]oxepin-6-yl)ethyl]-4-methylpiperazine--hydrogen chloride (1/2)
Database identifiers
- CAS
86640-24-6- PubChem CID
- 3070577
- DTXSID
DTXSID901006983
Properties
Computed structural properties
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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