2-(3-(Piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine

HCID 66876162

Substructure search Find similar structures

Basic information

Standard SMILES: FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1
InChIKey: UCWSAUMVNSJJNZ-UHFFFAOYSA-N
Molecular formula: C18H17F3N2O
Average molar mass: 334.3 g/mol

Names & identifiers

Preferred name: 2-(3-(Piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine
IUPAC: 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine

Names & synonyms

1020336-04-22-(3-(piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridinePyridine, 2-[3-(4-piperidinylidenemethyl)phenoxy]-5-(trifluoromethyl)-2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridineSCHEMBL1011526CS-M25222-(3-piperidin-4-ylidenemethyl-phenoxy)-5-trifluoromethyl-pyridineMFCD28386896AKOS037650342CS-146662-[3-(4-piperidylidenemethyl)phenoxy]-5-(trifluoromethyl)pyridine

Database identifiers

PubChem CID: 66876162

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 34.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 430

Related reactions

20 records

New reaction record

HRID 140412As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 152374As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161040As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 684416As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 685314As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 822792As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 822805As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 958689As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Linked notes

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