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4-(4-Piperidyloxy)-butanol (HCID 21440902)|Huagongshe
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Compound
4-(4-Piperidyloxy)-butanol
HCID
21440902
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
OCCCCOC1CCNCC1
InChIKey
CCMKWIUOFDUWJK-UHFFFAOYSA-N
Molecular formula
C9H19NO2
Average molar mass
173.25 g/mol
Names & identifiers
Preferred name
4-(4-Piperidyloxy)-butanol
IUPAC
4-piperidin-4-yloxybutan-1-ol
Names & synonyms
4-(4-piperidyloxy)-butanol
SCHEMBL11685291
CCMKWIUOFDUWJK-UHFFFAOYSA-N
Database identifiers
PubChem CID
21440902
Properties
Computed structural properties
XLogP
0.2
Topological polar surface area
41.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
12
Formal charge
0
Complexity
103
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
329040
As reactant
uspto-grants-1977_04
HRID
691266
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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