CAS 58012-16-1 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one (HCID 93915)

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Basic information

CAS: 58012-16-1
Standard SMILES: O=C1NCN(c2ccc(F)cc2)C12CCNCC2
InChIKey: BEEPXSBZGLKIOT-UHFFFAOYSA-N
Molecular formula: C13H16FN3O
Average molar mass: 249.28 g/mol
Monoisotopic mass: 249.12774035

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-one
IUPAC: 1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
English name: 1-(4-fluorophenyl)-1,3,8-triazaspiro[4,5]decan-4-one
Molecular formula: C13H16FN3O
Molecular weight: 249.28

Names & synonyms

1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one58012-16-11-(4-Fluorophenyl)-1,3,8-triazaspiro(4,5)decan-4-oneDTXSID302067351-(4-fluorophenyl)-1,3,8-triazaspiro[4,5]decan-4-one1-(4-Fluorophenyl)-1,3,8-triazaspiro(4.5)decan-4-oneRefChem:1054362DTXCID60129226261-071-3MFCD18711452EINECS 261-071-3SCHEMBL318959

Show more names

Fluspirilene Impurity 4 (Fluspirilene EP Impurity D)1,3,8-Triazaspiro[4.5]decan-4-one, 1-(4-fluorophenyl)-

TQP0839AKOS022664108AS-35671DB-328573CS-0091752NS00053345F3013591-(p-fluorophenyl)-1,3,8-triazaspiro[4,5]decan-4-one

Database identifiers

CAS: 58012-16-1
PubChem CID: 93915
DTXSID: DTXSID30206735
EC Number: 261-071-3
Nikkaji: J296.849E

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 44.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 322

Chemistry & industry

Applications

Uses1-(4-Fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one, is the derivative of Fluspirilene (F599800), which is a diphenylbutylpiperidine antipsychotic drug, used for the treatment of schizophrenia.