1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene

C150H246N18O5 — CID 158229067

About 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene

1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene (PubChem CID 158229067) has the molecular formula C150H246N18O5 and a molecular weight of 2381.74 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene.

Molecular Properties

• Compound Name: 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene
• PubChem CID: 158229067
• Molecular Formula: C150H246N18O5
• Molecular Weight: 2381.74 g/mol
• Exact Mass: 2379.95
• IUPAC Name: 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene
• SMILES: C.C.C.C.C.C.C.C.C.C.C=CCN1CCC(c2ccc(C)cc2)CC1.CCN1CCC(c2ccc(C)cc2)CC1.CCN1CCN(c2ccc(C)cc2)CC1.CCOCCOc1ccc(C)cc1.COCCN1CCC(c2ccc(C)cc2)CC1.COc1ccc(C)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCOCC2)cc1.Cc1ccccc1.Cc1cnc(C2CCN(C)CC2)cn1.Cc1cnc(N2CCCN(C(C)C)CC2)cn1.Cc1cnc(N2CCN(C)CC2)cn1
• InChI: InChI=1S/C15H23NO.C15H21N.C14H21N.C13H22N4.C13H20N2.C12H17N.C11H17N3.C11H15NO.C11H16O2.C10H16N4.C8H10O.C7H8.10CH4/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)11-12-17-2;1-3-10-16-11-8-15(9-12-16)14-6-4-13(2)5-7-14;1-3-15-10-8-14(9-11-15)13-6-4-12(2)5-7-13;1-11(2)16-5-4-6-17(8-7-16)13-10-14-12(3)9-15-13;1-3-14-8-10-15(11-9-14)13-6-4-12(2)5-7-13;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-9-7-13-11(8-12-9)10-3-5-14(2)6-4-10;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-3-12-8-9-13-11-6-4-10(2)5-7-11;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14;1-7-3-5-8(9-2)6-4-7;1-7-5-3-2-4-6-7;;;;;;;;;;/h3-6,15H,7-12H2,1-2H3;3-7,15H,1,8-12H2,2H3;4-7,14H,3,8-11H2,1-2H3;9-11H,4-8H2,1-3H3;4-7H,3,8-11H2,1-2H3;5-8H,2-4,9-10H2,1H3;7-8,10H,3-6H2,1-2H3;2-5H,6-9H2,1H3;4-7H,3,8-9H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-6H,1H3;10*1H4
• InChIKey: GEDRIKQYSFLXBU-UHFFFAOYSA-N
• XLogP: 32.94
• TPSA: 162.37 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2381.74
LogP ≤ 5	32.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene?

The IUPAC name of 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene (CID 158229067) is 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene.

What is the SMILES notation for 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene?

The canonical SMILES for 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene is C.C.C.C.C.C.C.C.C.C.C=CCN1CCC(c2ccc(C)cc2)CC1.CCN1CCC(c2ccc(C)cc2)CC1.CCN1CCN(c2ccc(C)cc2)CC1.CCOCCOc1ccc(C)cc1.COCCN1CCC(c2ccc(C)cc2)CC1.COc1ccc(C)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCOCC2)cc1.Cc1ccccc1.Cc1cnc(C2CCN(C)CC2)cn1.Cc1cnc(N2CCCN(C(C)C)CC2)cn1.Cc1cnc(N2CCN(C)CC2)cn1.

What is the InChIKey of 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene?

The InChIKey is GEDRIKQYSFLXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C15H21N.C14H21N.C13H22N4.C13H20N2.C12H17N.C11H17N3.C11H15NO.C11H16O2.C10H16N4.C8H10O.C7H8.10CH4/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)11-12-17-2;1-3-10-16-11-8-15(9-12-16)14-6-4-13(2)5-7-14;1-3-15-10-8-14(9-11-15)13-6-4-12(2)5-7-13;1-11(2)16-5-4-6-17(8-7-16)13-10-14-12(3)9-15-13;1-3-14-8-10-15(11-9-14)13-6-4-12(2)5-7-13;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-9-7-13-11(8-12-9)10-3-5-14(2)6-4-10;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-3-12-8-9-13-11-6-4-10(2)5-7-11;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14;1-7-3-5-8(9-2)6-4-7;1-7-5-3-2-4-6-7;;;;;;;;;;/h3-6,15H,7-12H2,1-2H3;3-7,15H,1,8-12H2,2H3;4-7,14H,3,8-11H2,1-2H3;9-11H,4-8H2,1-3H3;4-7H,3,8-11H2,1-2H3;5-8H,2-4,9-10H2,1H3;7-8,10H,3-6H2,1-2H3;2-5H,6-9H2,1H3;4-7H,3,8-9H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-6H,1H3;10*1H4.

What are the key properties of 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene?

1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene has a molecular weight of 2381.74 g/mol, XLogP of 32.94, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;methane;1-(2-methoxyethyl)-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;4-(4-methylphenyl)morpholine;1-(4-methylphenyl)piperidine;4-(4-methylphenyl)-1-prop-2-enylpiperidine;1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene is sourced from PubChem (CID 158229067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).