1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane

C132H222FN3O — CID 162171360

About 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane

1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane (PubChem CID 162171360) has the molecular formula C132H222FN3O and a molecular weight of 1886.25 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane
• PubChem CID: 162171360
• Molecular Formula: C132H222FN3O
• Molecular Weight: 1886.25 g/mol
• Exact Mass: 1884.74
• IUPAC Name: 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane
• SMILES: CC(C)(C)CCC1CCCCC1.CC(C)(C)CCc1ccccc1F.CC(C)CC(C)(C)C.CC(CC(C)(C)C)C1CCCCC1.COc1cc(C)ccc1CCC(C)(C)C.Cc1ccc(C(C)CC(C)(C)C)cc1.Cc1ccc(CCC(C)(C)C)cc1.Cc1ccc(N2CCC(CCC(C)(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)(C)C)CC2)cc1.Cc1cccc(CCC(C)(C)C)c1
• InChI: InChI=1S/C18H29N.C15H24N2.C14H22O.C14H22.2C13H20.C13H26.C12H17F.C12H24.C8H18/c1-15-5-7-17(8-6-15)19-13-10-16(11-14-19)9-12-18(2,3)4;1-13-5-7-14(8-6-13)16-9-11-17(12-10-16)15(2,3)4;1-11-6-7-12(13(10-11)15-5)8-9-14(2,3)4;1-11-6-8-13(9-7-11)12(2)10-14(3,4)5;1-11-5-7-12(8-6-11)9-10-13(2,3)4;1-11-6-5-7-12(10-11)8-9-13(2,3)4;1-11(10-13(2,3)4)12-8-6-5-7-9-12;1-12(2,3)9-8-10-6-4-5-7-11(10)13;1-12(2,3)10-9-11-7-5-4-6-8-11;1-7(2)6-8(3,4)5/h5-8,16H,9-14H2,1-4H3;5-8H,9-12H2,1-4H3;6-7,10H,8-9H2,1-5H3;6-9,12H,10H2,1-5H3;5-8H,9-10H2,1-4H3;5-7,10H,8-9H2,1-4H3;11-12H,5-10H2,1-4H3;4-7H,8-9H2,1-3H3;11H,4-10H2,1-3H3;7H,6H2,1-5H3
• InChIKey: ZNVKBTHUDMVKKN-UHFFFAOYSA-N
• XLogP: 40.33
• TPSA: 18.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1886.25
LogP ≤ 5	40.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane?

The IUPAC name of 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane (CID 162171360) is 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane.

What is the SMILES notation for 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane?

The canonical SMILES for 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane is CC(C)(C)CCC1CCCCC1.CC(C)(C)CCc1ccccc1F.CC(C)CC(C)(C)C.CC(CC(C)(C)C)C1CCCCC1.COc1cc(C)ccc1CCC(C)(C)C.Cc1ccc(C(C)CC(C)(C)C)cc1.Cc1ccc(CCC(C)(C)C)cc1.Cc1ccc(N2CCC(CCC(C)(C)C)CC2)cc1.Cc1ccc(N2CCN(C(C)(C)C)CC2)cc1.Cc1cccc(CCC(C)(C)C)c1.

What is the InChIKey of 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane?

The InChIKey is ZNVKBTHUDMVKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N.C15H24N2.C14H22O.C14H22.2C13H20.C13H26.C12H17F.C12H24.C8H18/c1-15-5-7-17(8-6-15)19-13-10-16(11-14-19)9-12-18(2,3)4;1-13-5-7-14(8-6-13)16-9-11-17(12-10-16)15(2,3)4;1-11-6-7-12(13(10-11)15-5)8-9-14(2,3)4;1-11-6-8-13(9-7-11)12(2)10-14(3,4)5;1-11-5-7-12(8-6-11)9-10-13(2,3)4;1-11-6-5-7-12(10-11)8-9-13(2,3)4;1-11(10-13(2,3)4)12-8-6-5-7-9-12;1-12(2,3)9-8-10-6-4-5-7-11(10)13;1-12(2,3)10-9-11-7-5-4-6-8-11;1-7(2)6-8(3,4)5/h5-8,16H,9-14H2,1-4H3;5-8H,9-12H2,1-4H3;6-7,10H,8-9H2,1-5H3;6-9,12H,10H2,1-5H3;5-8H,9-10H2,1-4H3;5-7,10H,8-9H2,1-4H3;11-12H,5-10H2,1-4H3;4-7H,8-9H2,1-3H3;11H,4-10H2,1-3H3;7H,6H2,1-5H3.

What are the key properties of 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane?

1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane has a molecular weight of 1886.25 g/mol, XLogP of 40.33, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(4-methylphenyl)piperazine;3,3-dimethylbutylcyclohexane;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-2-methoxy-4-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;4-(3,3-dimethylbutyl)-1-(4-methylphenyl)piperidine;4,4-dimethylpentan-2-ylcyclohexane;1-(4,4-dimethylpentan-2-yl)-4-methylbenzene;2,2,4-trimethylpentane is sourced from PubChem (CID 162171360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).