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Oprea1_350057,Oprea1_489862,BAS 03838175,[1-(2-Methoxy-benzyl)-piperid

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摘 要:Oprea1_350057,Oprea1_489862,BAS 03838175,[1-(2-Methoxy-benzyl)-piperidin-4-yl]-(4-methyl-piperidin-1-yl)-methanone, [1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl),methanone,Canonical SMILES: CC1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CC=C
[Synonyms]
Oprea1_350057
Oprea1_489862
BAS 03838175
[1-(2-Methoxy-benzyl)-piperidin-4-yl]-(4-methyl-piperidin-1-yl)-methanone

[Structure]
Oprea1_350057,Oprea1_489862,BAS 03838175,[1-(2-Methoxy-benzyl)-piperid

[ Properties Computed from Structure]
Molecular Weight330.4644 [g/mol]
Molecular FormulaC20H30N2O2
XLogP2.9
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass330.230728
MonoIsotopic Mass330.230728
Topological Polar Surface Area32.8
Heavy Atom Count24
Formal Charge0
Complexity398
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-[(2-methoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)
methanone
Canonical SMILES: CC1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CC=C3OC
InChI: InChI=1/C20H30N2O2/c1-16-7-13-22(14-8-16)20(23)17-9-11-21(12-10-17)15-
18-5-3-4-6-19(18)24-2/h3-6,16-17H,7-15H2,1-2H3

 
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