Basic information
- CAS
19410-15-2- Standard SMILES
CN1CCCCC1COC1c2ccccc2C=Cc2ncccc21- InChIKey
NQOHKTKQEOCHSM-UHFFFAOYSA-N- Molecular formula
- C21H24N2O
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.18886339
Names & identifiers
- Preferred name
- 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 5-((1-methylpiperid-2-yl)methoxy)-
- IUPAC
- 2-[(1-methylpiperidin-2-yl)methoxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene
Names & synonyms
BRN 14935575-((1-Methylpiperid-2-yl)methoxy)-5H-benzo(4,5)cyclohepta(1,2-b)pyridine19410-15-25-21-04-00109 (Beilstein Handbook Reference)5H-BENZO(4,5)CYCLOHEPTA(1,2-b)PYRIDINE, 5-((1-METHYLPIPERID-2-YL)METHOXY)-RefChem:305298DTXSID409411255-[(1-Methylpiperidin-2-yl)methoxy]-5H-benzo[4,5]cyclohepta[1,2-b]pyridine
Database identifiers
- CAS
19410-15-2- PubChem CID
- 29578
- DTXSID
DTXSID40941125- Nikkaji
- J41.274K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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