Piperidinium, 1-(2-(dicyclohexylamino)ethyl)-1-methyl-, bromide

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Basic information

CAS: 4269-88-9
Standard SMILES: C[N+]1(CCN(C2CCCCC2)C2CCCCC2)CCCCC1.[Br-]
InChIKey: VNEGEJJEZOLHLP-UHFFFAOYSA-M
Molecular formula: C20H39BrN2
Average molar mass: 387.4 g/mol
Monoisotopic mass: 386.22966

Names & identifiers

Preferred name: Piperidinium, 1-(2-(dicyclohexylamino)ethyl)-1-methyl-, bromide
IUPAC: N-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]cyclohexanamine bromide

Names & synonyms

IU(sub 7)N-Methyl-N-(beta-dicyclohexylaminoethyl)piperidine bromide1-(2-(Dicyclohexylamino)ethyl)-1-methyl-piperidinium bromide4269-88-9Piperidinium, 1-(2-(dicyclohexylamino)ethyl)-1-methyl-, bromideN-Metil-N-(beta-dicicloesilaminoetil)piperidinio bromuro [Italian]N-Metil-N-(beta-dicicloesilaminoetil)piperidinio bromuroRefChem:373412DTXSID909626281-[2-(Dicyclohexylamino)ethyl]-1-methylpiperidin-1-ium bromide

Database identifiers

CAS: 4269-88-9
PubChem CID: 199496
DTXSID: DTXSID90962628

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 292

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Compound notes

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