DP4

(1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide

Created: 2003-01-17
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count41
Aromatic Bond Count6
2D diagram of DP4
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Chemical Component Summary

Name(1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide
Systematic Name (OpenEye OEToolkits)dimethyl-(1-methyl-1-oxidanidyl-piperidin-1-ium-4-yl)-phenyl-silane
FormulaC14 H23 N O Si
Molecular Weight249.424
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01[O-][N+]2(CCC([Si](c1ccccc1)(C)C)CC2)C
SMILESCACTVS3.370C[N+]1([O-])CC[CH](CC1)[Si](C)(C)c2ccccc2
SMILESOpenEye OEToolkits1.7.0C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-]
Canonical SMILESCACTVS3.370 C[N@+]1([O-])CC[C@H](CC1)[Si](C)(C)c2ccccc2
Canonical SMILESOpenEye OEToolkits1.7.0 C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-]
InChIInChI1.03 InChI=1S/C14H23NOSi/c1-15(16)11-9-14(10-12-15)17(2,3)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-,15+
InChIKeyInChI1.03 HDJXTRKZEHHECC-GASCZTMLSA-N

Drug Info: DrugBank

DrugBank IDDB07672 
NameTRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-N-OXIDE
Groups experimental
SynonymsTRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-N-OXIDE

Drug Targets

NameTarget SequencePharmacological ActionActions
Ig gamma-1 chain C regionASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682