Basic information
- CAS
107025-80-9- Standard SMILES
Cl.O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc2ccccc2c1- InChIKey
WCHMXQYBLWIZCL-UHFFFAOYSA-N- Molecular formula
- C24H23ClFNO2
- Average molar mass
- 411.9 g/mol
- Monoisotopic mass
- 411.1401348
Overview
an anti-ischemic agent; RN from Toxlit; structure given in first source
Names & identifiers
- Preferred name
- 2-(4-(4-Fluorobenzoyl)piperidin-1-yl)-2'-acetonaphthone
- IUPAC
- 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-naphthalen-2-ylethanone;hydrochloride
- English name
- 2-(4-(4-fluorobenzoyl)piperidin-1-yl)-2'-acetonaphthone
- Molecular formula
- C24H22FNO2
- Molecular weight
- 375.4353832
Names & synonyms
RefChem:909289107025-80-92-(4-(4-Fluorobenzoyl)piperidin-1-yl)-2'-acetonaphthoneE-2001 FreeE-2001E 2001Ethanone, 2-[4-(4-fluorobenzoyl)-1-piperidinyl]-1-(2-naphthalenyl)-, hydrochloride (1:1)107025-81-0FZW23B3VK8SCHEMBL10339587DTXSID20910218WCHMXQYBLWIZCL-UHFFFAOYSA-N
Show more names
E20012-[4-(p-Fluorobenzoyl)-1-piperidinyl]-2'-acetonaphthone hydrochloride2-(4-(4-FLUOROPHENYL)CARBONYLPIPERIDIN-1-YL)-1-NAPHTHALEN-2-YL-ETHANONE2-[4-(4-Fluorobenzoyl)-1-piperidinyl]-1-(2-naphthalenyl)ethanone hydrochlorideEthanone, 2-(4-(4-fluorobenzoyl)-1-piperidinyl)-1-(2-naphthalenyl)-, hydrochlordeEthanone, 2-[4-(4-fluorobenzoyl)-1-piperidinyl]-1-(2-naphthalenyl)-, hydrochloride2-[4-(4-Fluorobenzoyl)piperidin-1-yl]-1-(naphthalen-2-yl)ethan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
107025-80-9- PubChem CID
- 129686
- DTXSID
DTXSID20910218- UNII
- FZW23B3VK8
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 549
Related reactions
1 records
Compound notes
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