1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone

C123H175F7N10O9 — CID 159290840

About 1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone

1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 159290840) has the molecular formula C123H175F7N10O9 and a molecular weight of 2070.80 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone
• PubChem CID: 159290840
• Molecular Formula: C123H175F7N10O9
• Molecular Weight: 2070.80 g/mol
• Exact Mass: 2069.34
• IUPAC Name: 1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone
• SMILES: CC(=O)N1CCN(c2ccc(C(C)C)cc2)CC1.CC(C)c1ccc(C(=O)C(F)(F)F)cc1.CC(C)c1ccc(C(=O)NC2COC2)cc1.CC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1cccc(C(C)(C)O)c1.CC(C)c1cccc(C(O)C(F)(F)F)c1.CC(C)c1cccc(N2CCN(C)CC2)c1.COc1cc(C(C)C)cc(F)c1N1CCN(C2COC2)CC1.COc1cc(C(C)C)ccc1N1CCN(C)CC1
• InChI: InChI=1S/C17H25FN2O2.C15H24N2O.C15H22N2O.C15H23N.C14H22N2.C13H17NO2.C12H18O.C11H11F3O.C11H13F3O/c1-12(2)13-8-15(18)17(16(9-13)21-3)20-6-4-19(5-7-20)14-10-22-11-14;1-12(2)13-5-6-14(15(11-13)18-4)17-9-7-16(3)8-10-17;1-12(2)14-4-6-15(7-5-14)17-10-8-16(9-11-17)13(3)18;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-12(2)13-5-4-6-14(11-13)16-9-7-15(3)8-10-16;1-9(2)10-3-5-11(6-4-10)13(15)14-12-7-16-8-12;1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14;1-7(2)8-4-3-5-9(6-8)10(15)11(12,13)14/h8-9,12,14H,4-7,10-11H2,1-3H3;5-6,11-12H,7-10H2,1-4H3;4-7,12H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);5-9,13H,1-4H3;3-7H,1-2H3;3-7,10,15H,1-2H3
• InChIKey: LACDNUBLVIDKDK-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 169.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.80
LogP ≤ 5	25.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone?

The IUPAC name of 1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone (CID 159290840) is 1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone.

What is the SMILES notation for 1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone?

The canonical SMILES for 1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone is CC(=O)N1CCN(c2ccc(C(C)C)cc2)CC1.CC(C)c1ccc(C(=O)C(F)(F)F)cc1.CC(C)c1ccc(C(=O)NC2COC2)cc1.CC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1cccc(C(C)(C)O)c1.CC(C)c1cccc(C(O)C(F)(F)F)c1.CC(C)c1cccc(N2CCN(C)CC2)c1.COc1cc(C(C)C)cc(F)c1N1CCN(C2COC2)CC1.COc1cc(C(C)C)ccc1N1CCN(C)CC1.

What is the InChIKey of 1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone?

The InChIKey is LACDNUBLVIDKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2.C15H24N2O.C15H22N2O.C15H23N.C14H22N2.C13H17NO2.C12H18O.C11H11F3O.C11H13F3O/c1-12(2)13-8-15(18)17(16(9-13)21-3)20-6-4-19(5-7-20)14-10-22-11-14;1-12(2)13-5-6-14(15(11-13)18-4)17-9-7-16(3)8-10-17;1-12(2)14-4-6-15(7-5-14)17-10-8-16(9-11-17)13(3)18;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-12(2)13-5-4-6-14(11-13)16-9-7-15(3)8-10-16;1-9(2)10-3-5-11(6-4-10)13(15)14-12-7-16-8-12;1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14;1-7(2)8-4-3-5-9(6-8)10(15)11(12,13)14/h8-9,12,14H,4-7,10-11H2,1-3H3;5-6,11-12H,7-10H2,1-4H3;4-7,12H,8-11H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);5-9,13H,1-4H3;3-7H,1-2H3;3-7,10,15H,1-2H3.

What are the key properties of 1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone?

1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 2070.80 g/mol, XLogP of 25.65, 22 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoro-6-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylpiperazine;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;N-(oxetan-3-yl)-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethanone;2-(3-propan-2-ylphenyl)propan-2-ol;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol;2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 159290840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).