1-Piperidineethanol, 4-(9,10-dihydro-2-methyl-4H-benzo(5,6)cyclohept(1,2-d)oxazol-4-ylidene)-
Basic information
- CAS
23598-98-3- Standard SMILES
Cc1nc2c(o1)CCc1ccccc1C2=C1CCN(CCO)CC1- InChIKey
SYKOAGQOXQQHFD-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- 1-Piperidineethanol, 4-(9,10-dihydro-2-methyl-4H-benzo(5,6)cyclohept(1,2-d)oxazol-4-ylidene)-
- IUPAC
- 2-[4-(5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]ethanol
- English name
- 4-(9,10-Dihydro-2-methyl-4H-benzo[5,6]cyclohept[1,2-d]oxazol-4-ylidene)-1-piperidineethanol
- Molecular formula
- C20H24N2O2
- Molecular weight
- 324.42
Names & synonyms
BRN 485091923598-98-31-Piperidineethanol, 4-(9,10-dihydro-2-methyl-4H-benzo(5,6)cyclohept(1,2-d)oxazol-4-ylidene)-DTXSID901782474-(9,10-Dihydro-2-methyl-4H-benzo(5,6)cyclohept(1,2-d)oxazol-4-ylidene)-1-piperidineethanolRefChem:234367DTXCID201007382-[4-(2-Methyl-9,10-dihydro-4H-benzo[5,6]cyclohepta[1,2-d][1,3]oxazol-4-ylidene)piperidin-1-yl]ethan-1-ol1-Piperidineethanol, 4-(9,10-dihydro-2-methyl-4H-benzo[5,6]cyclohept[1,2]oxazol-4-ylidene)-4-(9,10-Dihydro-2-methyl-4H-benzo[5,6]cyclohept[1,2-d]oxazol-4-ylidene)-1-piperidineethanol
Database identifiers
- CAS
23598-98-3- PubChem CID
- 211841
- DTXSID
DTXSID90178247- Nikkaji
- J90.918A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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