1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine

C95H136F5N9O5 — CID 158444080

About 1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine

1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 158444080) has the molecular formula C95H136F5N9O5 and a molecular weight of 1579.18 g/mol. Its IUPAC name is 1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

• Compound Name: 1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine
• PubChem CID: 158444080
• Molecular Formula: C95H136F5N9O5
• Molecular Weight: 1579.18 g/mol
• Exact Mass: 1578.06
• IUPAC Name: 1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine
• SMILES: CC(=O)c1cccc(C(C)C)c1.CC(C)c1ccc(C2CCN(CC(F)(F)F)CC2)cc1.CC(C)c1ccc(N2CCN(CC(F)F)CC2)cc1.CC(C)c1cccc(C(=O)N2CCN(C)CC2)c1.CC(C)c1cnc2c(c1)CCCO2.COc1cc(C(C)C)ccc1N1CCN(C2CCC2)CC1.COc1ccc(C(C)C)cn1
• InChI: InChI=1S/C18H28N2O.C16H22F3N.C15H22F2N2.C15H22N2O.C11H15NO.C11H14O.C9H13NO/c1-14(2)15-7-8-17(18(13-15)21-3)20-11-9-19(10-12-20)16-5-4-6-16;1-12(2)13-3-5-14(6-4-13)15-7-9-20(10-8-15)11-16(17,18)19;1-12(2)13-3-5-14(6-4-13)19-9-7-18(8-10-19)11-15(16)17;1-12(2)13-5-4-6-14(11-13)15(18)17-9-7-16(3)8-10-17;1-8(2)10-6-9-4-3-5-13-11(9)12-7-10;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-5-9(11-3)10-6-8/h7-8,13-14,16H,4-6,9-12H2,1-3H3;3-6,12,15H,7-11H2,1-2H3;3-6,12,15H,7-11H2,1-2H3;4-6,11-12H,7-10H2,1-3H3;6-8H,3-5H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3
• InChIKey: HDECZJAHPBANBO-UHFFFAOYSA-N
• XLogP: 21.20
• TPSA: 110.29 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1579.18
LogP ≤ 5	21.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine?

The IUPAC name of 1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine (CID 158444080) is 1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine.

What is the SMILES notation for 1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine?

The canonical SMILES for 1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine is CC(=O)c1cccc(C(C)C)c1.CC(C)c1ccc(C2CCN(CC(F)(F)F)CC2)cc1.CC(C)c1ccc(N2CCN(CC(F)F)CC2)cc1.CC(C)c1cccc(C(=O)N2CCN(C)CC2)c1.CC(C)c1cnc2c(c1)CCCO2.COc1cc(C(C)C)ccc1N1CCN(C2CCC2)CC1.COc1ccc(C(C)C)cn1.

What is the InChIKey of 1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine?

The InChIKey is HDECZJAHPBANBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.C16H22F3N.C15H22F2N2.C15H22N2O.C11H15NO.C11H14O.C9H13NO/c1-14(2)15-7-8-17(18(13-15)21-3)20-11-9-19(10-12-20)16-5-4-6-16;1-12(2)13-3-5-14(6-4-13)15-7-9-20(10-8-15)11-16(17,18)19;1-12(2)13-3-5-14(6-4-13)19-9-7-18(8-10-19)11-15(16)17;1-12(2)13-5-4-6-14(11-13)15(18)17-9-7-16(3)8-10-17;1-8(2)10-6-9-4-3-5-13-11(9)12-7-10;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-5-9(11-3)10-6-8/h7-8,13-14,16H,4-6,9-12H2,1-3H3;3-6,12,15H,7-11H2,1-2H3;3-6,12,15H,7-11H2,1-2H3;4-6,11-12H,7-10H2,1-3H3;6-8H,3-5H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3.

What are the key properties of 1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine?

1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 1579.18 g/mol, XLogP of 21.20, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclobutyl-4-(2-methoxy-4-propan-2-ylphenyl)piperazine;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-5-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(3-propan-2-ylphenyl)methanone;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(3-propan-2-ylphenyl)ethanone;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 158444080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).