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4-Amino-1-ethoxy-piperidine-4-carbonitrile (HCID 59614603)|Huagongshe
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Compound
4-Amino-1-ethoxy-piperidine-4-carbonitrile
HCID
59614603
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCON1CCC(N)(C#N)CC1
InChIKey
CWBBNUWNJIZCTP-UHFFFAOYSA-N
Molecular formula
C8H15N3O
Average molar mass
169.22 g/mol
Names & identifiers
Preferred name
4-Amino-1-ethoxy-piperidine-4-carbonitrile
IUPAC
4-amino-1-ethoxypiperidine-4-carbonitrile
Names & synonyms
SCHEMBL248297
CWBBNUWNJIZCTP-UHFFFAOYSA-N
4-Amino-1-ethoxy-piperidine-4-carbonitrile
Database identifiers
PubChem CID
59614603
Properties
Computed structural properties
XLogP
-0.1
Topological polar surface area
62.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
188
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Related reactions
6 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
204047
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
829028
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1022374
As product
uspto-grants-2014_05
HRID
1022375
As reactant
uspto-grants-2014_05
HRID
1962362
As product
uspto-grants-2013_04
HRID
1962363
As reactant
uspto-grants-2013_04
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Compound notes
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