1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride

HCID 210985

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Basic information

CAS: 22019-33-6
Standard SMILES: CC1(CC#CCN2CCCCC2)C(=O)c2ccccc2C1=O.Cl
InChIKey: UQORSBKAFLGAIK-UHFFFAOYSA-N
Molecular formula: C19H22ClNO2
Average molar mass: 331.8 g/mol
Monoisotopic mass: 331.1339066

Names & identifiers

Preferred name: 1,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochloride
IUPAC: 2-methyl-2-(4-piperidin-1-ylbut-2-ynyl)indene-1,3-dione;hydrochloride

Names & synonyms

22019-33-61,3-Indandione, 2-methyl-2-(4-piperidino-2-butynyl)-, hydrochlorideDTXSID101764822-Methyl-2-(delta-piperidinobutynyl)indan-1,3-dione hydrochlorideRefChem:219332DTXCID50989732-Methyl-2-[4-(piperidin-1-yl)but-2-yn-1-yl]-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)

Database identifiers

CAS: 22019-33-6
PubChem CID: 210985
DTXSID: DTXSID10176482

Properties

Computed structural properties

Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 494

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