Basic information
- CAS
4983-96-4- Standard SMILES
CN1CCN(C2Cc3ccccc3Oc3ccccc32)CC1- InChIKey
IZUKHQKTDGWYPJ-UHFFFAOYSA-N- Molecular formula
- C19H22N2O
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.17321333
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydrodibenz(b,f)oxepin-10-yl)-4-methyl-
- IUPAC
- 1-(5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
Names & synonyms
BRN 06246191-(10,11-Dihydrodibenz(b,f)oxepin-10-yl)-4-methylpiperazine4983-96-4Piperazine, 1-(10,11-dihydrodibenz(b,f)oxepin-10-yl)-4-methyl-5-23-02-00424 (Beilstein Handbook Reference)RefChem:371919DTXSID50964426AKOS0050655951-(10,11-Dihydrodibenzo[b,f]oxepin-10-yl)-4-methylpiperazine
Database identifiers
- CAS
4983-96-4- PubChem CID
- 199711
- DTXSID
DTXSID50964426
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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