Completing data — usually done within a minute
Basic information
- CAS
54237-25-1- Standard SMILES
CN1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1.Cl- InChIKey
BHDOGCFCDZRPEM-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.12334194
Names & identifiers
- Preferred name
- 4-Piperidinone, 1-methyl-3,5-bis(phenylmethylene)-, hydrochloride
- IUPAC
- 3,5-dibenzylidene-1-methylpiperidin-4-one;hydrochloride
Names & synonyms
54237-25-14-Piperidinone, 1-methyl-3,5-bis(phenylmethylene)-, hydrochlorideDTXSID60326854BHDOGCFCDZRPEM-UHFFFAOYSA-N3,5-dibenzylidene-1-methyl-4-piperidone, hydrochloride1-Methyl-3,5-bis(phenylmethylene)-4-piperidinone, hydrochloride3,5-Dibenzylidene-1-methylpiperidin-4-one--hydrogen chloride (1/1)
Database identifiers
- CAS
54237-25-1- PubChem CID
- 358708
- DTXSID
DTXSID60326854
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
3 records
Compound notes
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