2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone

C66H77ClF6N6O8 — CID 157268284

About 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone

2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 157268284) has the molecular formula C66H77ClF6N6O8 and a molecular weight of 1231.82 g/mol. Its IUPAC name is 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
• PubChem CID: 157268284
• Molecular Formula: C66H77ClF6N6O8
• Molecular Weight: 1231.82 g/mol
• Exact Mass: 1230.54
• IUPAC Name: 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
• SMILES: COc1ccc(NC2CCC(O)CC2)cc1C(F)(F)F.COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F.O=C(CCl)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1
• InChI: InChI=1S/C33H38F3N3O4.C19H21ClN2O2.C14H18F3NO2/c1-41-31-16-9-26(21-30(31)33(34,35)36)37-25-7-12-28(13-8-25)43-23-32(40)39-19-17-38(18-20-39)27-10-14-29(15-11-27)42-22-24-5-3-2-4-6-24;20-14-19(23)22-12-10-21(11-13-22)17-6-8-18(9-7-17)24-15-16-4-2-1-3-5-16;1-20-13-7-4-10(8-12(13)14(15,16)17)18-9-2-5-11(19)6-3-9/h2-6,9-11,14-16,21,25,28,37H,7-8,12-13,17-20,22-23H2,1H3;1-9H,10-15H2;4,7-9,11,18-19H,2-3,5-6H2,1H3
• InChIKey: AYFZMTZKYUTVAI-UHFFFAOYSA-N
• XLogP: 12.96
• TPSA: 137.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1231.82
LogP ≤ 5	12.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone?

The IUPAC name of 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone (CID 157268284) is 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(NC2CCC(O)CC2)cc1C(F)(F)F.COc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F.O=C(CCl)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1.

What is the InChIKey of 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone?

The InChIKey is AYFZMTZKYUTVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F3N3O4.C19H21ClN2O2.C14H18F3NO2/c1-41-31-16-9-26(21-30(31)33(34,35)36)37-25-7-12-28(13-8-25)43-23-32(40)39-19-17-38(18-20-39)27-10-14-29(15-11-27)42-22-24-5-3-2-4-6-24;20-14-19(23)22-12-10-21(11-13-22)17-6-8-18(9-7-17)24-15-16-4-2-1-3-5-16;1-20-13-7-4-10(8-12(13)14(15,16)17)18-9-2-5-11(19)6-3-9/h2-6,9-11,14-16,21,25,28,37H,7-8,12-13,17-20,22-23H2,1H3;1-9H,10-15H2;4,7-9,11,18-19H,2-3,5-6H2,1H3.

What are the key properties of 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone?

2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 1231.82 g/mol, XLogP of 12.96, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone;4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 157268284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).