2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen

C87H121F3N10O — CID 161288981

IUPAC2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen
SMILESCc1cc(C)cc(CCNCC(c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)c1.Cc1ccc(NC(=O)NCC(c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.FC(F)(F)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.[H][H].[H][H]
InChIInChI=1S/C34H45N3.C27H36F3N3.C26H36N4O.2H2/c1-27-23-28(2)25-29(24-27)17-18-35-26-34(32-15-13-31(14-16-32)30-9-5-3-6-10-30)37-21-19-36(20-22-37)33-11-7-4-8-12-33;28-27(29,30)24-13-11-23(12-14-24)26(21-31-16-15-22-7-3-1-4-8-22)33-19-17-32(18-20-33)25-9-5-2-6-10-25;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;;/h3,5-6,9-10,13-16,23-25,33-35H,4,7-8,11-12,17-22,26H2,1-2H3;1,3-4,7-8,11-14,25-26,31H,2,5-6,9-10,15-21H2;2,4-5,8-9,12-15,24-25H,3,6-7,10-11,16-20H2,1H3,(H2,27,28,31);2*1H
InChIKeyVGCAZWSLZDHAAQ-UHFFFAOYSA-N
MW1379.99 g/mol
LogP17.62
Rot. Bonds23

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

2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen (PubChem CID 161288981) has the molecular formula C87H121F3N10O and a molecular weight of 1379.99 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen
PubChem CID161288981
Molecular FormulaC87H121F3N10O
Molecular Weight1379.99 g/mol
Exact Mass1378.97
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen
SMILESCc1cc(C)cc(CCNCC(c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)c1.Cc1ccc(NC(=O)NCC(c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.FC(F)(F)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.[H][H].[H][H]
InChIInChI=1S/C34H45N3.C27H36F3N3.C26H36N4O.2H2/c1-27-23-28(2)25-29(24-27)17-18-35-26-34(32-15-13-31(14-16-32)30-9-5-3-6-10-30)37-21-19-36(20-22-37)33-11-7-4-8-12-33;28-27(29,30)24-13-11-23(12-14-24)26(21-31-16-15-22-7-3-1-4-8-22)33-19-17-32(18-20-33)25-9-5-2-6-10-25;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;;/h3,5-6,9-10,13-16,23-25,33-35H,4,7-8,11-12,17-22,26H2,1-2H3;1,3-4,7-8,11-14,25-26,31H,2,5-6,9-10,15-21H2;2,4-5,8-9,12-15,24-25H,3,6-7,10-11,16-20H2,1H3,(H2,27,28,31);2*1H
InChIKeyVGCAZWSLZDHAAQ-UHFFFAOYSA-N
XLogP17.62
TPSA84.63 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001379.99
LogP ≤ 517.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]ethanamine;2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;1-(4-fluorophenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea;2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;molecular hydrogen
CID 159968000
1-[3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)propyl]-4-cyclohexylpiperazine
CID 173317143
N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-2-(4-cyclohexylpiperazin-1-yl)-2-phenylacetamide;molecular hydrogen
CID 161237581
1-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 7384639
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-cyclobutylpiperazin-1-yl)-N-methyl-2-phenylacetamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-cyclohexylpiperazin-1-yl)-N-methyl-2-phenylacetamide;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-N-methyl-2-phenylacetamide;2-(4-cyclohexylpiperazin-1-yl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-[2-(3,5-dimethylphenyl)ethyl]-N-methyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 161251156
4-[3,5-bis(trifluoromethyl)phenyl]-1-(4-cyclohexylpiperazin-1-yl)-1-phenylbutan-2-one
CID 59966198
2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(4-methoxyphenyl)ethanamine
CID 25056323
1-[2-(1,3-dioxoisoindol-2-yl)-2-phenylethyl]-3-(4-methylphenyl)urea
CID 50740575
N-[2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 54222222
N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 30835257
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
1-(4-chlorophenyl)-3-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 18578202

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen (CID 161288981) is 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen is Cc1cc(C)cc(CCNCC(c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)c1.Cc1ccc(NC(=O)NCC(c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.FC(F)(F)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.[H][H].[H][H].
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen?
The InChIKey is VGCAZWSLZDHAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N3.C27H36F3N3.C26H36N4O.2H2/c1-27-23-28(2)25-29(24-27)17-18-35-26-34(32-15-13-31(14-16-32)30-9-5-3-6-10-30)37-21-19-36(20-22-37)33-11-7-4-8-12-33;28-27(29,30)24-13-11-23(12-14-24)26(21-31-16-15-22-7-3-1-4-8-22)33-19-17-32(18-20-33)25-9-5-2-6-10-25;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;;/h3,5-6,9-10,13-16,23-25,33-35H,4,7-8,11-12,17-22,26H2,1-2H3;1,3-4,7-8,11-14,25-26,31H,2,5-6,9-10,15-21H2;2,4-5,8-9,12-15,24-25H,3,6-7,10-11,16-20H2,1H3,(H2,27,28,31);2*1H.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen?
2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen has a molecular weight of 1379.99 g/mol, XLogP of 17.62, 23 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dimethylphenyl)ethyl]-2-(4-phenylphenyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-methylphenyl)urea;2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen is sourced from PubChem (CID 161288981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).