2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen

C81H108Cl2F6N10O2 — CID 158735521

About 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen

2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen (PubChem CID 158735521) has the molecular formula C81H108Cl2F6N10O2 and a molecular weight of 1438.72 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen
• PubChem CID: 158735521
• Molecular Formula: C81H108Cl2F6N10O2
• Molecular Weight: 1438.72 g/mol
• Exact Mass: 1436.79
• IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen
• SMILES: COc1ccccc1C(CNCCc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1.Cc1ccc(NC(=O)NCC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1.FC(F)(F)c1ccc(CCNCC(c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H35F6N3.C27H37Cl2N3O.C26H30N4O.3H2/c29-27(30,31)23-10-6-21(7-11-23)14-15-35-20-26(22-8-12-24(13-9-22)28(32,33)34)37-18-16-36(17-19-37)25-4-2-1-3-5-25;1-33-27-10-6-5-9-25(27)26(20-30-12-11-21-17-22(28)19-23(29)18-21)32-15-13-31(14-16-32)24-7-3-2-4-8-24;1-21-12-14-23(15-13-21)28-26(31)27-20-25(22-8-4-2-5-9-22)30-18-16-29(17-19-30)24-10-6-3-7-11-24;;;/h6-13,25-26,35H,1-5,14-20H2;5-6,9-10,17-19,24,26,30H,2-4,7-8,11-16,20H2,1H3;2-15,25H,16-20H2,1H3,(H2,27,28,31);3*1H
• InChIKey: ILPZGZYGBHBVHL-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 93.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1438.72
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen?

The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen (CID 158735521) is 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen.

What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen?

The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen is COc1ccccc1C(CNCCc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1.Cc1ccc(NC(=O)NCC(c2ccccc2)N2CCN(c3ccccc3)CC2)cc1.FC(F)(F)c1ccc(CCNCC(c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1.[H][H].[H][H].[H][H].

What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen?

The InChIKey is ILPZGZYGBHBVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F6N3.C27H37Cl2N3O.C26H30N4O.3H2/c29-27(30,31)23-10-6-21(7-11-23)14-15-35-20-26(22-8-12-24(13-9-22)28(32,33)34)37-18-16-36(17-19-37)25-4-2-1-3-5-25;1-33-27-10-6-5-9-25(27)26(20-30-12-11-21-17-22(28)19-23(29)18-21)32-15-13-31(14-16-32)24-7-3-2-4-8-24;1-21-12-14-23(15-13-21)28-26(31)27-20-25(22-8-4-2-5-9-22)30-18-16-29(17-19-30)24-10-6-3-7-11-24;;;/h6-13,25-26,35H,1-5,14-20H2;5-6,9-10,17-19,24,26,30H,2-4,7-8,11-16,20H2,1H3;2-15,25H,16-20H2,1H3,(H2,27,28,31);3*1H.

What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen?

2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen has a molecular weight of 1438.72 g/mol, XLogP of 17.79, 23 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(2-methoxyphenyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-(4-methylphenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;molecular hydrogen is sourced from PubChem (CID 158735521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).