4-(9-Azabicyclo[3.3.1]nonan-9-yl)-1,1-diphenylbut-2-yn-1-ol
Basic information
- CAS
799250-30-9- Standard SMILES
OC(C#CCN1C2CCCC1CCC2)(c1ccccc1)c1ccccc1- InChIKey
RABYOTWHKRTPHJ-UHFFFAOYSA-N- Molecular formula
- C24H27NO
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.20926449
Names & identifiers
- Preferred name
- 4-(9-Azabicyclo[3.3.1]nonan-9-yl)-1,1-diphenylbut-2-yn-1-ol
- IUPAC
- 4-(9-azabicyclo[3.3.1]nonan-9-yl)-1,1-diphenylbut-2-yn-1-ol
Names & synonyms
DTXSID1011479974-(9-azabicyclo[3.3.1]nonan-9-yl)-1,1-diphenylbut-2-yn-1-olAKOS000577121799250-30-9I+/--[3-(9-Azabicyclo[3.3.1]non-9-yl)-1-propyn-1-yl]-I+/--phenylbenzenemethanol
Database identifiers
- CAS
799250-30-9- PubChem CID
- 3152199
- DTXSID
DTXSID101147997
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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