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Tert-butyl 3-(aminomethyl)-3-(1-methylpiperidin-2-yl)azetidine-1-carboxylate

HCID 57798322
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCCCC1C1(CN)CN(C(=O)OC(C)(C)C)C1
InChIKey
AFBDSUVLRAXERW-UHFFFAOYSA-N
Molecular formula
C15H29N3O2
Average molar mass
283.41 g/mol

Names & identifiers

Preferred name
Tert-butyl 3-(aminomethyl)-3-(1-methylpiperidin-2-yl)azetidine-1-carboxylate
IUPAC
tert-butyl 3-(aminomethyl)-3-(1-methylpiperidin-2-yl)azetidine-1-carboxylate

Names & synonyms

SCHEMBL3885393AFBDSUVLRAXERW-UHFFFAOYSA-Ntert-butyl 3-(aminomethyl)-3-(1-methylpiperidin-2-yl)azetidine-1-carboxylate

Database identifiers

PubChem CID
57798322

Properties

Computed structural propertiesFilling in

XLogP
1
Topological polar surface area
58.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
359

Related reactions

4 records
New reaction record
HRID 1124957 reaction equation
HRID 1124957As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2100311 reaction equation
HRID 2100311As productuspto-grants-2009_08
HRID 2100312 reaction equation
HRID 2100312As reactantuspto-grants-2009_08
HRID 2153178 reaction equation
HRID 2153178As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes