1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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

C108H207N18O15+ — CID 160950327

IUPAC1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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
SMILESCC(C)OC1CCC1.CC(C)OCC1CCC1.CC(C)OCC1CCOCC1.CC(C)OCC1CN(C)CCN1C.CC(C)OCCC1CCOCC1.CC(C)OCCN1CCN(C)CC1.CC(C)OCCc1cccnc1.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
InChIInChI=1S/2C10H22N2O.C10H15NO.C10H20O2.C9H20N2O.C9H13NO.C9H18O2.C8H16O.2C7H12N2O.C7H14O.2C6H11N3O/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)12-8-5-10-3-6-11-7-4-10;1-9(2)12-8-11-6-4-10(3)5-7-11;2*1-8(2)11-7-9-3-5-10-6-4-9;1-7(2)9-6-8-4-3-5-8;2*1-6(2)10-4-7-3-8-5-9-7;1-6(2)8-7-4-3-5-7;1-6(2)10-5-9-4-7-3-8-9;1-5(2)10-3-6-7-4-8-9-6/h9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;3-4,6,8-9H,5,7H2,1-2H3;9-10H,3-8H2,1-2H3;9H,4-8H2,1-3H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*3,5-6H,4H2,1-2H3,(H,8,9);6-7H,3-5H2,1-2H3;3-4,6H,5H2,1-2H3;4-5H,3H2,1-2H3,(H,7,8,9)/p+1
InChIKeyQMBPABLWWDVYRB-UHFFFAOYSA-O
MW1997.95 g/mol
LogP17.71
Rot. Bonds41

About 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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 160950327) has the molecular formula C108H207N18O15+ and a molecular weight of 1997.95 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;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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 Name1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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 CID160950327
Molecular FormulaC108H207N18O15+
Molecular Weight1997.95 g/mol
Exact Mass1996.60
IUPAC Name1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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
SMILESCC(C)OC1CCC1.CC(C)OCC1CCC1.CC(C)OCC1CCOCC1.CC(C)OCC1CN(C)CCN1C.CC(C)OCCC1CCOCC1.CC(C)OCCN1CCN(C)CC1.CC(C)OCCc1cccnc1.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
InChIInChI=1S/2C10H22N2O.C10H15NO.C10H20O2.C9H20N2O.C9H13NO.C9H18O2.C8H16O.2C7H12N2O.C7H14O.2C6H11N3O/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)12-8-5-10-3-6-11-7-4-10;1-9(2)12-8-11-6-4-10(3)5-7-11;2*1-8(2)11-7-9-3-5-10-6-4-9;1-7(2)9-6-8-4-3-5-8;2*1-6(2)10-4-7-3-8-5-9-7;1-6(2)8-7-4-3-5-7;1-6(2)10-5-9-4-7-3-8-9;1-5(2)10-3-6-7-4-8-9-6/h9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;3-4,6,8-9H,5,7H2,1-2H3;9-10H,3-8H2,1-2H3;9H,4-8H2,1-3H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*3,5-6H,4H2,1-2H3,(H,8,9);6-7H,3-5H2,1-2H3;3-4,6H,5H2,1-2H3;4-5H,3H2,1-2H3,(H,7,8,9)/p+1
InChIKeyQMBPABLWWDVYRB-UHFFFAOYSA-O
XLogP17.71
TPSA315.16 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds41
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001997.95
LogP ≤ 517.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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 with MolForge

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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;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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 160950327) is 1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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)OC1CCC1.CC(C)OCC1CCC1.CC(C)OCC1CCOCC1.CC(C)OCC1CN(C)CCN1C.CC(C)OCCC1CCOCC1.CC(C)OCCN1CCN(C)CC1.CC(C)OCCc1cccnc1.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;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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 QMBPABLWWDVYRB-UHFFFAOYSA-O. The full InChI is InChI=1S/2C10H22N2O.C10H15NO.C10H20O2.C9H20N2O.C9H13NO.C9H18O2.C8H16O.2C7H12N2O.C7H14O.2C6H11N3O/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)12-8-5-10-3-6-11-7-4-10;1-9(2)12-8-11-6-4-10(3)5-7-11;2*1-8(2)11-7-9-3-5-10-6-4-9;1-7(2)9-6-8-4-3-5-8;2*1-6(2)10-4-7-3-8-5-9-7;1-6(2)8-7-4-3-5-7;1-6(2)10-5-9-4-7-3-8-9;1-5(2)10-3-6-7-4-8-9-6/h9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;3-4,6,8-9H,5,7H2,1-2H3;9-10H,3-8H2,1-2H3;9H,4-8H2,1-3H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;2*3,5-6H,4H2,1-2H3,(H,8,9);6-7H,3-5H2,1-2H3;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;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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 1997.95 g/mol, XLogP of 17.71, 41 rotatable bonds, 4 hydrogen bond donors, and 28 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;propan-2-yloxycyclobutane;4-(2-propan-2-yloxyethyl)oxane;3-(2-propan-2-yloxyethyl)pyridine;propan-2-yloxymethylcyclobutane;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)oxane;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 160950327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).