Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-piperidinomethyl-
Basic information
- CAS
42981-84-0- Standard SMILES
COc1ccc2c(=O)c3ccccc3ccc2c1CN1CCCCC1- InChIKey
FEKRQWYREUUOMT-UHFFFAOYSA-N- Molecular formula
- C22H23NO2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.17287898
Names & identifiers
- Preferred name
- Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-piperidinomethyl-
- IUPAC
- 6-methoxy-7-(piperidin-1-ylmethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
Names & synonyms
BRN 1263757Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-piperidinomethyl-42981-84-02-Methoxy-1-piperidinomethyldibenzo(a,e)cycloheptatrien-5-oneDTXSID401956065-20-02-00418 (Beilstein Handbook Reference)RefChem:337061DTXCID401180972-Methoxy-1-[(piperidin-1-yl)methyl]-5H-dibenzo[a,d][7]annulen-5-one
Database identifiers
- CAS
42981-84-0- PubChem CID
- 206149
- DTXSID
DTXSID40195606- Nikkaji
- J72.802K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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