LDV

3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

Created:2019-02-22
Last modified:  2019-05-08

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count39
Aromatic Bond Count10
2D diagram of LDV

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Chemical Component Summary

Name3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
Systematic Name (OpenEye OEToolkits)3-[(4-methylpiperidin-1-yl)methyl]-1~{H}-indole
FormulaC15 H20 N2
Molecular Weight228.333
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1(CCC(CC1)C)Cc3c2c(cccc2)nc3
SMILESCACTVS3.385CC1CCN(CC1)Cc2c[nH]c3ccccc23
SMILESOpenEye OEToolkits2.0.6CC1CCN(CC1)Cc2c[nH]c3c2cccc3
Canonical SMILESCACTVS3.385 CC1CCN(CC1)Cc2c[nH]c3ccccc23
Canonical SMILESOpenEye OEToolkits2.0.6 CC1CCN(CC1)Cc2c[nH]c3c2cccc3
InChIInChI1.03 InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3
InChIKeyInChI1.03 DGCGMYNLCDVYMB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 30438
ChEMBL CHEMBL57478