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Compound
3-(4-Isopropyl-piperazin-1-yl)-phenol
HCID
58499480
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Basic information
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Basic information
Standard SMILES
CC(C)N1CCN(c2cccc(O)c2)CC1
InChIKey
DBBJTIAGGDCNKD-UHFFFAOYSA-N
Molecular formula
C13H20N2O
Average molar mass
220.31 g/mol
Names & identifiers
Preferred name
3-(4-Isopropyl-piperazin-1-yl)-phenol
IUPAC
3-(4-propan-2-ylpiperazin-1-yl)phenol
Names & synonyms
SCHEMBL2385980
DBBJTIAGGDCNKD-UHFFFAOYSA-N
3-(4-Isopropyl-piperazin-1-yl)-phenol
Database identifiers
PubChem CID
58499480
Properties
Computed structural properties
XLogP
2.3
Topological polar surface area
26.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
212
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
193584
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
910274
As product
uspto-grants-2011_09
Compound notes
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