4-Aminospiroperidol
Basic information
- CAS
114442-96-5- Standard SMILES
Nc1ccc(N2CNC(=O)C23CCN(CCCC(=O)c2ccc(F)cc2)CC3)cc1- InChIKey
MJEREOGWNZGKRN-UHFFFAOYSA-N- Molecular formula
- C23H27FN4O2
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.21180428
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-Aminospiroperidol
- IUPAC
- 1-(4-aminophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one
- English name
- 4-aminospiroperidol
- Molecular formula
- C23H27FN4O2
- Molecular weight
- 410.48
Names & synonyms
4-AminospiroperidolASPD114442-96-5DTXSID60150732RefChem:97888DTXCID20732231-(4-aminophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one1,3,8-Triazaspiro[4.5]decan-4-one, 1-(4-aminophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-
Database identifiers
- CAS
114442-96-5- PubChem CID
- 195080
- DTXSID
DTXSID60150732
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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