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(4-Cyclohexylpyrrolidin-2-yl)methanol (HCID 13648258)|Huagongshe
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Compound
(4-Cyclohexylpyrrolidin-2-yl)methanol
HCID
13648258
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
OCC1CC(C2CCCCC2)CN1
InChIKey
AXYPCLBJVCTKIG-UHFFFAOYSA-N
Molecular formula
C11H21NO
Average molar mass
183.29 g/mol
Names & identifiers
Preferred name
(4-Cyclohexylpyrrolidin-2-yl)methanol
IUPAC
(4-cyclohexylpyrrolidin-2-yl)methanol
Names & synonyms
SCHEMBL10373937
Database identifiers
PubChem CID
13648258
Properties
Computed structural properties
XLogP
2.3
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
154
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Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
799165
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
947087
As product
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1129904
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
2134183
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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