1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene

C100H147N13O3 — CID 160640400

About 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);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;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene (PubChem CID 160640400) has the molecular formula C100H147N13O3 and a molecular weight of 1579.36 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);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;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene
• PubChem CID: 160640400
• Molecular Formula: C100H147N13O3
• Molecular Weight: 1579.36 g/mol
• Exact Mass: 1578.17
• IUPAC Name: 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene
• SMILES: CCN1CCC(c2ccc(C)cc2)CC1.CCN1CCN(c2ccc(C)cc2)CC1.CCOCCOc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccccc1.Cc1cnc(N2CCCN(C(C)C)CC2)cn1.Cc1cnc(N2CCN(C)CC2)cn1
• InChI: InChI=1S/C14H21N.C13H22N4.C13H20N2.2C12H17N.C11H16O2.C10H16N4.C8H10O.C7H8/c1-3-15-10-8-14(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;2*1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;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/h4-7,14H,3,8-11H2,1-2H3;9-11H,4-8H2,1-3H3;4-7H,3,8-11H2,1-2H3;2*5-8H,2-4,9-10H2,1H3;4-7H,3,8-9H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-6H,1H3
• InChIKey: RJCFKUAEVNWKIE-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 108.41 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1579.36
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);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;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene (CID 160640400) is 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);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;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);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;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene is CCN1CCC(c2ccc(C)cc2)CC1.CCN1CCN(c2ccc(C)cc2)CC1.CCOCCOc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccccc1.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;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene?

The InChIKey is RJCFKUAEVNWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C13H22N4.C13H20N2.2C12H17N.C11H16O2.C10H16N4.C8H10O.C7H8/c1-3-15-10-8-14(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;2*1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;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/h4-7,14H,3,8-11H2,1-2H3;9-11H,4-8H2,1-3H3;4-7H,3,8-11H2,1-2H3;2*5-8H,2-4,9-10H2,1H3;4-7H,3,8-9H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;2-6H,1H3.

What are the key properties of 1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;1-ethyl-4-(4-methylphenyl)piperidine;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);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;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene has a molecular weight of 1579.36 g/mol, XLogP of 19.95, 15 rotatable bonds, 0 hydrogen bond donors, and 16 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;1-methoxy-4-methylbenzene;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;bis(1-(4-methylphenyl)piperidine);1-(5-methylpyrazin-2-yl)-4-propan-2-yl-1,4-diazepane;toluene is sourced from PubChem (CID 160640400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).