Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-piperidinomethyl-
Basic information
- CAS
42981-89-5- Standard SMILES
COc1ccc2c(c1CN1CCCCC1)C=Cc1ccccc1C2O- InChIKey
JUBBECCRFDMAEY-UHFFFAOYSA-N- Molecular formula
- C22H25NO2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.18852904
Names & identifiers
- Preferred name
- Dibenzo(a,e)cycloheptatrien-5-ol, 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-ol
Names & synonyms
BRN 12647032-Methoxy-1-piperidinomethyldibenzo(a,e)cycloheptatrien-5-ol42981-89-5Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-piperidinomethyl-5-20-02-00285 (Beilstein Handbook Reference)RefChem:337057DTXSID709628282-Methoxy-1-[(piperidin-1-yl)methyl]-5H-dibenzo[a,d][7]annulen-5-ol
Database identifiers
- CAS
42981-89-5- PubChem CID
- 206154
- DTXSID
DTXSID70962828- Nikkaji
- J72.797K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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