1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium

C75H140N17O9+ — CID 161041063

About 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium

1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium (PubChem CID 161041063) has the molecular formula C75H140N17O9+ and a molecular weight of 1424.05 g/mol. Its IUPAC name is 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium.

Molecular Properties

• Compound Name: 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium
• PubChem CID: 161041063
• Molecular Formula: C75H140N17O9+
• Molecular Weight: 1424.05 g/mol
• Exact Mass: 1423.10
• IUPAC Name: 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium
• SMILES: CC(C)OCC1CN(C)CCN1C.CC(C)OCCN1CCN(C)CC1.CC(C)OCCc1ccccc1.CC(C)OCN1CCN(C)CC1.CC(C)OC[n+]1cnc[nH]1.CC(C)OCc1ccncc1.CC(C)OCc1cnc[nH]1.CC(C)OCc1cnc[nH]1.CC(C)OCc1ncn[nH]1
• InChI: InChI=1S/C11H16O.2C10H22N2O.C9H20N2O.C9H13NO.2C7H12N2O.2C6H11N3O/c1-10(2)12-9-8-11-6-4-3-5-7-11;1-9(2)13-8-10-7-11(3)5-6-12(10)4;1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-9(2)12-8-11-6-4-10(3)5-7-11;1-8(2)11-7-9-3-5-10-6-4-9;2*1-6(2)10-4-7-3-8-5-9-7;1-6(2)10-5-9-4-7-3-8-9;1-5(2)10-3-6-7-4-8-9-6/h3-7,10H,8-9H2,1-2H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;3-6,8H,7H2,1-2H3;2*3,5-6H,4H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3;4-5H,3H2,1-2H3,(H,7,8,9)/p+1
• InChIKey: VYNGZUDCGQMCPS-UHFFFAOYSA-O
• XLogP: 10.07
• TPSA: 246.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1424.05
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium?

The IUPAC name of 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium (CID 161041063) is 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium.

What is the SMILES notation for 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium?

The canonical SMILES for 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium is CC(C)OCC1CN(C)CCN1C.CC(C)OCCN1CCN(C)CC1.CC(C)OCCc1ccccc1.CC(C)OCN1CCN(C)CC1.CC(C)OC[n+]1cnc[nH]1.CC(C)OCc1ccncc1.CC(C)OCc1cnc[nH]1.CC(C)OCc1cnc[nH]1.CC(C)OCc1ncn[nH]1.

What is the InChIKey of 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium?

The InChIKey is VYNGZUDCGQMCPS-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16O.2C10H22N2O.C9H20N2O.C9H13NO.2C7H12N2O.2C6H11N3O/c1-10(2)12-9-8-11-6-4-3-5-7-11;1-9(2)13-8-10-7-11(3)5-6-12(10)4;1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-9(2)12-8-11-6-4-10(3)5-7-11;1-8(2)11-7-9-3-5-10-6-4-9;2*1-6(2)10-4-7-3-8-5-9-7;1-6(2)10-5-9-4-7-3-8-9;1-5(2)10-3-6-7-4-8-9-6/h3-7,10H,8-9H2,1-2H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;3-6,8H,7H2,1-2H3;2*3,5-6H,4H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3;4-5H,3H2,1-2H3,(H,7,8,9)/p+1.

What are the key properties of 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium?

1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium has a molecular weight of 1424.05 g/mol, XLogP of 10.07, 29 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium is sourced from PubChem (CID 161041063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).