4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine

C68H115N26O3S2+ — CID 159131645

About 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine

4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 159131645) has the molecular formula C68H115N26O3S2+ and a molecular weight of 1408.98 g/mol. Its IUPAC name is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

• Compound Name: 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine
• PubChem CID: 159131645
• Molecular Formula: C68H115N26O3S2+
• Molecular Weight: 1408.98 g/mol
• Exact Mass: 1407.91
• IUPAC Name: 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine
• SMILES: CCc1nc(C2CCN(C)CC2)n[nH]1.CN1CCC(c2ccon2)CC1.CN1CCC(c2cscn2)CC1.CN1CCC(c2n[n+](C)co2)CC1.CN1CCC(c2ncn[nH]2)CC1.CN1CCC(c2nn[nH]n2)CC1.CN1CCC(c2nnco2)CC1.CN1CCC(c2nncs2)CC1
• InChI: InChI=1S/C10H18N4.C9H16N3O.C9H14N2O.C9H14N2S.C8H14N4.C8H13N3O.C8H13N3S.C7H13N5/c1-3-9-11-10(13-12-9)8-4-6-14(2)7-5-8;1-11-5-3-8(4-6-11)9-10-12(2)7-13-9;1-11-5-2-8(3-6-11)9-4-7-12-10-9;1-11-4-2-8(3-5-11)9-6-12-7-10-9;1-12-4-2-7(3-5-12)8-9-6-10-11-8;2*1-11-4-2-7(3-5-11)8-10-9-6-12-8;1-12-4-2-6(3-5-12)7-8-10-11-9-7/h8H,3-7H2,1-2H3,(H,11,12,13);7-8H,3-6H2,1-2H3;4,7-8H,2-3,5-6H2,1H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3,(H,9,10,11);2*6-7H,2-5H2,1H3;6H,2-5H2,1H3,(H,8,9,10,11)/q;+1
• InChIKey: OXGVYRFSDLTWOS-UHFFFAOYSA-N
• XLogP: 7.77
• TPSA: 297.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1408.98
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?

The IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine (CID 159131645) is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine.

What is the SMILES notation for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?

The canonical SMILES for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine is CCc1nc(C2CCN(C)CC2)n[nH]1.CN1CCC(c2ccon2)CC1.CN1CCC(c2cscn2)CC1.CN1CCC(c2n[n+](C)co2)CC1.CN1CCC(c2ncn[nH]2)CC1.CN1CCC(c2nn[nH]n2)CC1.CN1CCC(c2nnco2)CC1.CN1CCC(c2nncs2)CC1.

What is the InChIKey of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?

The InChIKey is OXGVYRFSDLTWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4.C9H16N3O.C9H14N2O.C9H14N2S.C8H14N4.C8H13N3O.C8H13N3S.C7H13N5/c1-3-9-11-10(13-12-9)8-4-6-14(2)7-5-8;1-11-5-3-8(4-6-11)9-10-12(2)7-13-9;1-11-5-2-8(3-6-11)9-4-7-12-10-9;1-11-4-2-8(3-5-11)9-6-12-7-10-9;1-12-4-2-7(3-5-12)8-9-6-10-11-8;2*1-11-4-2-7(3-5-11)8-10-9-6-12-8;1-12-4-2-6(3-5-12)7-8-10-11-9-7/h8H,3-7H2,1-2H3,(H,11,12,13);7-8H,3-6H2,1-2H3;4,7-8H,2-3,5-6H2,1H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3,(H,9,10,11);2*6-7H,2-5H2,1H3;6H,2-5H2,1H3,(H,8,9,10,11)/q;+1;;;;;;.

What are the key properties of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?

4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 1408.98 g/mol, XLogP of 7.77, 9 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-3-ium;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 159131645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).