Butyrophenone, 4'-methoxy-2'-(2-piperidinoethoxy)-, hydrochloride

HCID 30263

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Basic information

CAS: 20800-19-5
Standard SMILES: CCCC(=O)c1ccc(OC)cc1OCC[NH+]1CCCCC1.[Cl-]
InChIKey: GTEOEOCTVADWSE-UHFFFAOYSA-N
Molecular formula: C18H28ClNO3
Average molar mass: 341.9 g/mol
Monoisotopic mass: 341.1757714

Names & identifiers

Preferred name: Butyrophenone, 4'-methoxy-2'-(2-piperidinoethoxy)-, hydrochloride
IUPAC: 1-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride

Names & synonyms

Butyrophenone, 4'-methoxy-6'-(2-piperidinoethoxy)-, hydrochloride4'-Methoxy-2'-(2-piperidinoethoxy)butyrophenone hydrochlorideBUTYROPHENONE, 4'-METHOXY-2'-(2-PIPERIDINOETHOXY)-, HYDROCHLORIDE20800-19-5RefChem:331438

Database identifiers

CAS: 20800-19-5
PubChem CID: 30263

Properties

Computed structural properties

Topological polar surface area: 40 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 328

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