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Oprea1_359220,Oprea1_863360,STK030232, [1-[(2-ethoxyphenyl)methyl]pipe

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摘 要:Oprea1_359220,Oprea1_863360,STK030232, [1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl),methanone,Canonical SMILES: CCOC1=CC=CC=C1CN2CCC(CC2)C(=O)N3CCC(CC3)C,InChI: InChI=1/C21H32N2O2/c1-3-25-20-7-5-4-6-19(20)16-22-12-10-18(11-13-2
[Synonyms]
Oprea1_359220
Oprea1_863360
STK030232

[Structure]
Oprea1_359220,Oprea1_863360,STK030232, [1-[(2-ethoxyphenyl)methyl]pipe

[ Properties Computed from Structure]
Molecular Weight344.49098 [g/mol]
Molecular FormulaC21H32N2O2
XLogP3.3
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count5
Exact Mass344.246378
MonoIsotopic Mass344.246378
Topological Polar Surface Area32.8
Heavy Atom Count25
Formal Charge0
Complexity412
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-ethoxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)
methanone
Canonical SMILES: CCOC1=CC=CC=C1CN2CCC(CC2)C(=O)N3CCC(CC3)C
InChI: InChI=1/C21H32N2O2/c1-3-25-20-7-5-4-6-19(20)16-22-12-10-18(11-13-22)21
(24)23-14-8-17(2)9-15-23/h4-7,17-18H,3,8-16H2,1-2H3

 
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