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Oprea1_397793 1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine,Ca

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摘 要:Oprea1_397793 1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine,Canonical SMILES: CN1CCN(CC1)CC2=CC(=C(C=C2OC)OC)OC,InChI: InChI=1/C15H24N2O3/c1-16-5-7-17(8-6-16)11-12-9-14(19-3)15(20-4)10-13(12),18-2/h9-10H,5-8,11H2,1-4H3,Molecular Weight280.362
[Synonyms]
Oprea1_397793
[Structure]
Oprea1_397793 1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine,Ca

[ Properties Computed from Structure]
Molecular Weight280.36266 [g/mol]
Molecular FormulaC15H24N2O3
XLogP0.9
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count5
Exact Mass280.178693
MonoIsotopic Mass280.178693
Topological Polar Surface Area34.2
Heavy Atom Count20
Formal Charge0
Complexity282
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-methyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
Canonical SMILES: CN1CCN(CC1)CC2=CC(=C(C=C2OC)OC)OC
InChI: InChI=1/C15H24N2O3/c1-16-5-7-17(8-6-16)11-12-9-14(19-3)15(20-4)10-13(12)
18-2/h9-10H,5-8,11H2,1-4H3

 
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