1-Butanone, 1-(1-(2-morpholinoethyl)-4-phenyl-4-piperidyl)-, dihydrochloride
Basic information
- CAS
25224-22-0- Standard SMILES
CCCC(=O)C1(CC[NH+]2CCOCC2)CCN(c2ccccc2)CC1.[Cl-].[Cl-]- InChIKey
BZNPQIIQJGSXSI-UHFFFAOYSA-M- Molecular formula
- C21H33Cl2N2O2-
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 415.1919087
Names & identifiers
- Preferred name
- 1-Butanone, 1-(1-(2-morpholinoethyl)-4-phenyl-4-piperidyl)-, dihydrochloride
- IUPAC
- 1-[4-(2-morpholin-4-ium-4-ylethyl)-1-phenylpiperidin-4-yl]butan-1-one dichloride
Names & synonyms
25224-22-01-BUTANONE, 1-(1-(2-MORPHOLINOETHYL)-4-PHENYL-4-PIPERIDYL)-, DIHYDROCHLORIDERefChem:10551051-(1-(2-Morpholinoethyl)-4-phenyl-4-piperidyl)-1-butanone dihydrochloride
Database identifiers
- CAS
25224-22-0- PubChem CID
- 32845
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- -1
- Complexity
- 406
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Compound notes
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