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1-[(5,8-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-methylpiperazine (HCID 12828486)|Huagongshe
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Compound
1-[(5,8-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-methylpiperazine
HCID
12828486
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
COc1ccc(OC)c2c1CCOC2CN1CCN(C)CC1
InChIKey
KGQRFZGRLDZJFS-UHFFFAOYSA-N
Molecular formula
C17H26N2O3
Average molar mass
306.4 g/mol
Names & identifiers
Preferred name
1-[(5,8-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-methylpiperazine
IUPAC
1-[(5,8-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-methylpiperazine
Database identifiers
PubChem CID
12828486
Properties
Computed structural properties
XLogP
1.4
Topological polar surface area
34.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
347
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Related reactions
1 records
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As solvent
HRID
95457
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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