1,3-Indandione, 2-benzyl-2-(4-piperidino-2-butynyl)-, hydrochloride
Basic information
- CAS
22019-28-9- Standard SMILES
Cl.O=C1c2ccccc2C(=O)C1(CC#CCN1CCCCC1)Cc1ccccc1- InChIKey
BHKRRBLBWMFTMT-UHFFFAOYSA-N- Molecular formula
- C25H26ClNO2
- Average molar mass
- 407.9 g/mol
- Monoisotopic mass
- 407.1652068
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-benzyl-2-(4-piperidino-2-butynyl)-, hydrochloride
- IUPAC
- 2-benzyl-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione;hydrochloride
Names & synonyms
22019-28-91,3-Indandione, 2-benzyl-2-(4-piperidino-2-butynyl)-, hydrochlorideDTXSID801764792-Benzyl-2-(delta-piperidinobutynyl)indan-1,3-dione hydrochlorideRefChem:219313DTXCID00989702-Benzyl-2-[4-(piperidin-1-yl)but-2-yn-1-yl]-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
22019-28-9- PubChem CID
- 210979
- DTXSID
DTXSID80176479
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 618
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Compound notes
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