4XE

4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium

Created:2015-06-17
Last modified:  2015-08-12

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Chemical Details

Formal Charge1
Atom Count37
Chiral Atom Count0
Bond Count38
Aromatic Bond Count0
2D diagram of 4XE

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Chemical Component Summary

Name4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium
Systematic Name (OpenEye OEToolkits)2-piperazin-4-ium-1-yl-1-piperidin-1-yl-ethanone
FormulaC11 H22 N3 O
Molecular Weight212.312
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(CN1CC[NH2+]CC1)N2CCCCC2
SMILESCACTVS3.385O=C(CN1CC[NH2+]CC1)N2CCCCC2
SMILESOpenEye OEToolkits1.9.2C1CCN(CC1)C(=O)CN2CC[NH2+]CC2
Canonical SMILESCACTVS3.385 O=C(CN1CC[NH2+]CC1)N2CCCCC2
Canonical SMILESOpenEye OEToolkits1.9.2 C1CCN(CC1)C(=O)CN2CC[NH2+]CC2
InChIInChI1.03 InChI=1S/C11H21N3O/c15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13/h12H,1-10H2/p+1
InChIKeyInChI1.03 PCHXUJGLAFXWIW-UHFFFAOYSA-O

Related Resource References

Resource NameReference
PubChem 91826681, 28378486