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4-(4-Chloro-3-trifluoromethyl-phenyl)-1-ethyl-piperidine

HCID 22345189
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN1CCC(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIKey
MVOZMERUCRSCAW-UHFFFAOYSA-N
Molecular formula
C14H17ClF3N
Average molar mass
291.74 g/mol

Names & identifiers

Preferred name
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-ethyl-piperidine
IUPAC
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidine

Names & synonyms

4-(4-Chloro-3-trifluoromethyl-phenyl)-1-ethyl-piperidineSCHEMBL2925669

Database identifiers

PubChem CID
22345189

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
287

Related reactions

3 records
New reaction record
HRID 584055 reaction equation
HRID 584055As productuspto-grants-2005_08
HRID 1153638 reaction equation
HRID 1153638As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2232900 reaction equation
HRID 2232900As productuspto-grants-2010_05

Compound notes

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