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Tert-butyl 4-(3-fluorophenoxy)piperidine-1-carboxylate

HCID 57699520
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIKey
XMLYKKDRXNWYMG-UHFFFAOYSA-N
Molecular formula
C16H22FNO3
Average molar mass
295.35 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
IUPAC
tert-butyl 4-(3-fluorophenoxy)piperidine-1-carboxylate

Names & synonyms

920511-29-1tert-butyl 4-(3-fluorophenoxy)piperidine-1-carboxylateSCHEMBL377422XMLYKKDRXNWYMG-UHFFFAOYSA-NMFCD14706059BS-351311-(tert-Butoxycarbonyl)-4-(3-fluorophenoxy)piperidinetert-butyl4-(3-fluorophenoxy)piperidine-1-carboxylate1,1-Dimethylethyl 4-[(3-fluorophenyl)oxy]-1-piperidinecarboxylate1-PIPERIDINECARBOXYLIC ACID, 4-(3-FLUOROPHENOXY)-, 1,1-DIMETHYLETHYLESTER

Database identifiers

PubChem CID
57699520

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
348

Related reactions

8 records
New reaction record
HRID 43346 reaction equation
HRID 43346As productuspto-grants-2013_09
HRID 210901 reaction equation
HRID 210901As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 883768 reaction equation
HRID 883768As productuspto-grants-2012_08
HRID 883769 reaction equation
HRID 883769As reactantuspto-grants-2012_08
HRID 906347 reaction equation
HRID 906347As productuspto-grants-2011_09
HRID 906348 reaction equation
HRID 906348As reactantuspto-grants-2011_09
HRID 2143331 reaction equation
HRID 2143331As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2424421 reaction equation
HRID 2424421As productuspto-grants-2011_06

Compound notes

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