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Oprea1_100792,Oprea1_419695,STK083235,BAS 03838176,[1-(4-Chloro-benzyl

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摘 要:Oprea1_100792,Oprea1_419695,STK083235,BAS 03838176,[1-(4-Chloro-benzyl)-piperidin-4-yl]-(4-methyl-piperidin-1-yl)-methanone, [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl),methanone,Canonical SMILES: CC1CCN(CC1)C(=O)C2CCN(CC2)CC3
[Synonyms]
Oprea1_100792
Oprea1_419695
STK083235
BAS 03838176
[1-(4-Chloro-benzyl)-piperidin-4-yl]-(4-methyl-piperidin-1-yl)-methanone

[Structure]
Oprea1_100792,Oprea1_419695,STK083235,BAS 03838176,[1-(4-Chloro-benzyl

[ Properties Computed from Structure]
Molecular Weight334.88348 [g/mol]
Molecular FormulaC19H27ClN2O
XLogP3.6
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count3
Exact Mass334.181191
MonoIsotopic Mass334.181191
Topological Polar Surface Area23.6
Heavy Atom Count23
Formal Charge0
Complexity379
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-[(4-chlorophenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)
methanone
Canonical SMILES: CC1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI: InChI=1/C19H27ClN2O/c1-15-6-12-22(13-7-15)19(23)17-8-10-21(11-9-17)14-
16-2-4-18(20)5-3-16/h2-5,15,17H,6-14H2,1H3

 
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