1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole

C71H136N21O9+ — CID 159153305

About 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole

1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole (PubChem CID 159153305) has the molecular formula C71H136N21O9+ and a molecular weight of 1428.01 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;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole.

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;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole
• PubChem CID: 159153305
• Molecular Formula: C71H136N21O9+
• Molecular Weight: 1428.01 g/mol
• Exact Mass: 1427.08
• 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;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole
• SMILES: CC(C)OCC1CN(C)CCN1C.CC(C)OCCN1CCN(C)CC1.CC(C)OCCc1cccnc1.CC(C)OCN1CCN(C)CC1.CC(C)OC[n+]1cnn[nH]1.CC(C)OCc1ccncc1.CC(C)OCc1cn[nH]n1.CC(C)OCc1cnc[nH]1.CC(C)OCc1nn[nH]n1
• InChI: InChI=1S/2C10H22N2O.C10H15NO.C9H20N2O.C9H13NO.C7H12N2O.C6H11N3O.2C5H10N4O/c1-9(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)12-7-5-10-4-3-6-11-8-10;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;1-6(2)10-4-7-3-8-5-9-7;1-5(2)10-4-6-3-7-9-8-6;1-5(2)10-4-9-3-6-7-8-9;1-4(2)10-3-5-6-8-9-7-5/h9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;3-4,6,8-9H,5,7H2,1-2H3;9H,4-8H2,1-3H3;3-6,8H,7H2,1-2H3;3,5-6H,4H2,1-2H3,(H,8,9);3,5H,4H2,1-2H3,(H,7,8,9);3,5H,4H2,1-2H3;4H,3H2,1-2H3,(H,6,7,8,9)/p+1
• InChIKey: IJXZQPBMXNGZSO-UHFFFAOYSA-O
• XLogP: 7.65
• TPSA: 298.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1428.01
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

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;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole?

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;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole (CID 159153305) is 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole.

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;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole?

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;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole is CC(C)OCC1CN(C)CCN1C.CC(C)OCCN1CCN(C)CC1.CC(C)OCCc1cccnc1.CC(C)OCN1CCN(C)CC1.CC(C)OC[n+]1cnn[nH]1.CC(C)OCc1ccncc1.CC(C)OCc1cn[nH]n1.CC(C)OCc1cnc[nH]1.CC(C)OCc1nn[nH]n1.

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;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole?

The InChIKey is IJXZQPBMXNGZSO-UHFFFAOYSA-O. The full InChI is InChI=1S/2C10H22N2O.C10H15NO.C9H20N2O.C9H13NO.C7H12N2O.C6H11N3O.2C5H10N4O/c1-9(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)12-7-5-10-4-3-6-11-8-10;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;1-6(2)10-4-7-3-8-5-9-7;1-5(2)10-4-6-3-7-9-8-6;1-5(2)10-4-9-3-6-7-8-9;1-4(2)10-3-5-6-8-9-7-5/h9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;3-4,6,8-9H,5,7H2,1-2H3;9H,4-8H2,1-3H3;3-6,8H,7H2,1-2H3;3,5-6H,4H2,1-2H3,(H,8,9);3,5H,4H2,1-2H3,(H,7,8,9);3,5H,4H2,1-2H3;4H,3H2,1-2H3,(H,6,7,8,9)/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;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole?

1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole has a molecular weight of 1428.01 g/mol, XLogP of 7.65, 29 rotatable bonds, 4 hydrogen bond donors, and 25 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;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole is sourced from PubChem (CID 159153305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).