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Tert-butyl 4-(4-hydroxybut-2-enyl)piperidine-1-carboxylate

HCID 66935335
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(CC=CCO)CC1
InChIKey
YVCZNOLQDMYYKH-UHFFFAOYSA-N
Molecular formula
C14H25NO3
Average molar mass
255.35 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-(4-hydroxybut-2-enyl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-(4-hydroxybut-2-enyl)piperidine-1-carboxylate

Names & synonyms

SCHEMBL1186709

Database identifiers

PubChem CID
66935335

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
49.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
286

Related reactions

1 records
New reaction record
HRID 148704 reaction equation
HRID 148704As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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