3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone
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Basic information
- CAS
31842-23-6- Standard SMILES
O=C(c1ccccc1)C(CNC1CN2CCC1CC2)c1ccccc1- InChIKey
DDLAHAHXSPIZQL-UHFFFAOYSA-N- Molecular formula
- C22H26N2O
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.20451346
Names & identifiers
- Preferred name
- 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone
- IUPAC
- 3-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,2-diphenylpropan-1-one
- English name
- β-(1-Azabicyclo[2.2.2]octan-3-ylamino)-α-phenylpropiophenone
- Molecular formula
- C22H26N2O
- Molecular weight
- 334.45
Names & synonyms
31842-23-63-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone3-(1-azabicyclo[2.2.2]oct-3-ylamino)-1,2-diphenyl-1-propanoneRefChem:1066375BRN 04950232-Phenyl-3-(3-quinuclidinylamino)propiophenonePropiophenone, 2-phenyl-3-(3-quinuclidinylamino)-5-22-08-00228 (Beilstein Handbook Reference)DTXSID109537553-[(1-Azabicyclo[2.2.2]octan-3-yl)amino]-1,2-diphenylpropan-1-oneβ-(1-Azabicyclo[2.2.2]octan-3-ylamino)-α-phenylpropiophenone1-Propanone, 3-(1-azabicyclo[2.2.2]oct-3-ylamino)-1,2-diphenyl-
Database identifiers
- CAS
31842-23-6- PubChem CID
- 208252
- DTXSID
DTXSID10953755- Nikkaji
- J51.129C
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
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Compound notes
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