JGN

[(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol

Created:	2019-02-25
Last modified:	2019-03-27

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1 entries where JGN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	2
Bond Count	50
Aromatic Bond Count	10

2D diagram of JGN

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Chemical Component Summary
Name	[(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol
Systematic Name (OpenEye OEToolkits)	[(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol
Formula	C₁₈ H₂₆ N₂ O₂
Molecular Weight	302.411
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CO[CH]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[CH](CO)C1
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c2c(c1CN3CCC(CC3CO)OC)cc[nH]2)C
Canonical SMILES	CACTVS	3.385	CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](CO)C1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[nH]2)C
InChI	InChI	1.03	InChI=1S/C18H26N2O2/c1-12-8-13(2)18-16(4-6-19-18)17(12)10-20-7-5-15(22-3)9-14(20)11-21/h4,6,8,14-15,19,21H,5,7,9-11H2,1-3H3/t14-,15-/m0/s1
InChIKey	InChI	1.03	MBNDMTBONUNJAQ-GJZGRUSLSA-N

Related Resource References

Resource Name	Reference
PubChem	138753276

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