Butyrophenone, 4-(3-azaspiro(5.5)undec-3-yl)-4'-fluoro-, hydrochloride

HCID 6157

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Basic information

CAS: 64-60-8
Standard SMILES: Cl.O=C(CCCN1CCC2(CCCCC2)CC1)c1ccc(F)cc1
InChIKey: OOSPTPAVGQFOIZ-UHFFFAOYSA-N
Molecular formula: C20H29ClFNO
Average molar mass: 353.9 g/mol
Monoisotopic mass: 353.1921704

Names & identifiers

Preferred name: Butyrophenone, 4-(3-azaspiro(5.5)undec-3-yl)-4'-fluoro-, hydrochloride
IUPAC: 4-(3-azaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride

Names & synonyms

NSC 9082564-60-8BUTYROPHENONE, 4-(3-AZASPIRO(5.5)UNDEC-3-YL)-4'-FLUORO-, HYDROCHLORIDEDTXSID202139784-(3-Azaspiro(5.5)undec-3-yl)-4'-fluoro-butyrophenone hydrochloride3-((4-p-Fluorophenyl-4-hydroxy)butyl)-3-azaspiro(5.5)undecane hydrochlorideRefChem:331450DTXCID50136469NSC90825NSC-908254-(3-Azaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)

Database identifiers

CAS: 64-60-8
PubChem CID: 6157
DTXSID: DTXSID20213978

Properties

Computed structural properties

Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 373

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