5TT

~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine

Created: 2015-12-01
Last modified:  2016-02-03

Find related ligands:

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count36
Aromatic Bond Count6
2D diagram of 5TT

Chemical Component Summary

Name~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine
Systematic Name (OpenEye OEToolkits)~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine
FormulaC13 H20 N2
Molecular Weight204.311
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CNCc1ccc(cc1)N2CCCCC2
SMILESOpenEye OEToolkits2.0.4CNCc1ccc(cc1)N2CCCCC2
Canonical SMILESCACTVS3.385 CNCc1ccc(cc1)N2CCCCC2
Canonical SMILESOpenEye OEToolkits2.0.4 CNCc1ccc(cc1)N2CCCCC2
InChIInChI1.03 InChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
InChIKeyInChI1.03 ABHBNGLDUNAXSR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 7060582
ChEMBL CHEMBL4096606