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1-[4-[5-(Oxan-2-yloxy)pentyl]piperazin-1-yl]propan-2-ol (HCID 9972955)|Huagongshe
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Compound
1-[4-[5-(Oxan-2-yloxy)pentyl]piperazin-1-yl]propan-2-ol
HCID
9972955
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Basic information
Standard SMILES
CC(O)CN1CCN(CCCCCOC2CCCCO2)CC1
InChIKey
NTOOWBODAZRCQB-UHFFFAOYSA-N
Molecular formula
C17H34N2O3
Average molar mass
314.5 g/mol
Names & identifiers
Preferred name
1-[4-[5-(Oxan-2-yloxy)pentyl]piperazin-1-yl]propan-2-ol
IUPAC
1-[4-[5-(oxan-2-yloxy)pentyl]piperazin-1-yl]propan-2-ol
Names & synonyms
SCHEMBL10521583
Database identifiers
PubChem CID
9972955
Properties
Computed structural properties
XLogP
1.6
Topological polar surface area
45.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
22
Formal charge
0
Complexity
283
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Related reactions
1 records
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As solvent
HRID
90183
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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