1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol

C74H99Cl3F6N10O9 — CID 159758525

About 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol

1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol (PubChem CID 159758525) has the molecular formula C74H99Cl3F6N10O9 and a molecular weight of 1493.01 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
• PubChem CID: 159758525
• Molecular Formula: C74H99Cl3F6N10O9
• Molecular Weight: 1493.01 g/mol
• Exact Mass: 1490.66
• IUPAC Name: 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
• SMILES: CC(C)(C)c1ccc(N2CCN(C(=O)CCl)CC2)cc1.CC(C)(C)c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.O=C(Cl)CCl.O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C29H37F3N4O4.C16H23ClN2O.C14H22N2.C13H15F3N2O3.C2H2Cl2O/c1-28(2,3)20-4-9-23(10-5-20)34-14-16-35(17-15-34)27(37)19-40-24-11-6-21(7-12-24)33-22-8-13-26(36(38)39)25(18-22)29(30,31)32;1-16(2,3)13-4-6-14(7-5-13)18-8-10-19(11-9-18)15(20)12-17;1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16;14-13(15,16)11-7-9(3-6-12(11)18(20)21)17-8-1-4-10(19)5-2-8;3-1-2(4)5/h4-5,8-10,13,18,21,24,33H,6-7,11-12,14-17,19H2,1-3H3;4-7H,8-12H2,1-3H3;4-7,15H,8-11H2,1-3H3;3,6-8,10,17,19H,1-2,4-5H2;1H2
• InChIKey: NEOQIJUPMIKGKV-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 219.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1493.01
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol?

The IUPAC name of 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol (CID 159758525) is 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol.

What is the SMILES notation for 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol?

The canonical SMILES for 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol is CC(C)(C)c1ccc(N2CCN(C(=O)CCl)CC2)cc1.CC(C)(C)c1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.O=C(Cl)CCl.O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F.

What is the InChIKey of 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol?

The InChIKey is NEOQIJUPMIKGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37F3N4O4.C16H23ClN2O.C14H22N2.C13H15F3N2O3.C2H2Cl2O/c1-28(2,3)20-4-9-23(10-5-20)34-14-16-35(17-15-34)27(37)19-40-24-11-6-21(7-12-24)33-22-8-13-26(36(38)39)25(18-22)29(30,31)32;1-16(2,3)13-4-6-14(7-5-13)18-8-10-19(11-9-18)15(20)12-17;1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16;14-13(15,16)11-7-9(3-6-12(11)18(20)21)17-8-1-4-10(19)5-2-8;3-1-2(4)5/h4-5,8-10,13,18,21,24,33H,6-7,11-12,14-17,19H2,1-3H3;4-7H,8-12H2,1-3H3;4-7,15H,8-11H2,1-3H3;3,6-8,10,17,19H,1-2,4-5H2;1H2.

What are the key properties of 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol?

1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol has a molecular weight of 1493.01 g/mol, XLogP of 15.58, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 159758525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).