HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

3-[2-[4-[(4-Fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-6-methylpyridine-2-carbaldehyde

HCID 21973476
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(OCC(=O)N2CC(C)N(Cc3ccc(F)cc3)CC2C)c(C=O)n1
InChIKey
LHYRFXGZZSDSII-UHFFFAOYSA-N
Molecular formula
C22H26FN3O3
Average molar mass
399.5 g/mol

Names & identifiers

Preferred name
3-[2-[4-[(4-Fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-6-methylpyridine-2-carbaldehyde
IUPAC
3-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-6-methylpyridine-2-carbaldehyde

Database identifiers

PubChem CID
21973476

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
62.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Formal charge
0
Complexity
555

Related reactions

2 records
New reaction record
HRID 198861 reaction equation
HRID 198861As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2133430 reaction equation
HRID 2133430As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes