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

C113H156Cl2FN13O2 — CID 159968000

IUPAC2-(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
SMILESCC(C)(C)c1ccc(C(CNCCc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1.CC(C)(C)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNCCc2ccc(C)cc2)N2CCN(c3ccccc3)CC2)cc1.O=C(NCC(c1ccccc1)N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C30H43Cl2N3.C30H45N3.C28H35N3O.C25H27FN4O.3H2/c1-30(2,3)25-11-9-24(10-12-25)29(22-33-14-13-23-19-26(31)21-27(32)20-23)35-17-15-34(16-18-35)28-7-5-4-6-8-28;1-30(2,3)27-16-14-26(15-17-27)29(24-31-19-18-25-10-6-4-7-11-25)33-22-20-32(21-23-33)28-12-8-5-9-13-28;1-23-8-10-24(11-9-23)16-17-29-22-28(25-12-14-27(32-2)15-13-25)31-20-18-30(19-21-31)26-6-4-3-5-7-26;26-21-11-13-22(14-12-21)28-25(31)27-19-24(20-7-3-1-4-8-20)30-17-15-29(16-18-30)23-9-5-2-6-10-23;;;/h9-12,19-21,28-29,33H,4-8,13-18,22H2,1-3H3;4,6-7,10-11,14-17,28-29,31H,5,8-9,12-13,18-24H2,1-3H3;3-15,28-29H,16-22H2,1-2H3;1-14,24H,15-19H2,(H2,27,28,31);3*1H
InChIKeyOEEJTDYFUWWZDC-UHFFFAOYSA-N
MW1818.48 g/mol
LogP22.87
Rot. Bonds31

About 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

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 (PubChem CID 159968000) has the molecular formula C113H156Cl2FN13O2 and a molecular weight of 1818.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159968000
Molecular FormulaC113H156Cl2FN13O2
Molecular Weight1818.48 g/mol
Exact Mass1816.19
IUPAC Name2-(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
SMILESCC(C)(C)c1ccc(C(CNCCc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1.CC(C)(C)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNCCc2ccc(C)cc2)N2CCN(c3ccccc3)CC2)cc1.O=C(NCC(c1ccccc1)N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C30H43Cl2N3.C30H45N3.C28H35N3O.C25H27FN4O.3H2/c1-30(2,3)25-11-9-24(10-12-25)29(22-33-14-13-23-19-26(31)21-27(32)20-23)35-17-15-34(16-18-35)28-7-5-4-6-8-28;1-30(2,3)27-16-14-26(15-17-27)29(24-31-19-18-25-10-6-4-7-11-25)33-22-20-32(21-23-33)28-12-8-5-9-13-28;1-23-8-10-24(11-9-23)16-17-29-22-28(25-12-14-27(32-2)15-13-25)31-20-18-30(19-21-31)26-6-4-3-5-7-26;26-21-11-13-22(14-12-21)28-25(31)27-19-24(20-7-3-1-4-8-20)30-17-15-29(16-18-30)23-9-5-2-6-10-23;;;/h9-12,19-21,28-29,33H,4-8,13-18,22H2,1-3H3;4,6-7,10-11,14-17,28-29,31H,5,8-9,12-13,18-24H2,1-3H3;3-15,28-29H,16-22H2,1-2H3;1-14,24H,15-19H2,(H2,27,28,31);3*1H
InChIKeyOEEJTDYFUWWZDC-UHFFFAOYSA-N
XLogP22.87
TPSA112.37 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds31
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001818.48
LogP ≤ 522.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 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-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
2-(4-cyclohexylpiperazin-1-yl)-N-[2-(3,5-dichlorophenyl)ethyl]-2-(4-methoxyphenyl)ethanamine
CID 25056323
1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 43016379
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 16803372
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-(4-chlorophenyl)-3-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 18578202
1-(3,4-dimethoxyphenyl)-3-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 43957079
1-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 7384639
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234244
N'-(4-methoxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517357
N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 30835257

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(C(CNCCc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1.CC(C)(C)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.COc1ccc(C(CNCCc2ccc(C)cc2)N2CCN(c3ccccc3)CC2)cc1.O=C(NCC(c1ccccc1)N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is OEEJTDYFUWWZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43Cl2N3.C30H45N3.C28H35N3O.C25H27FN4O.3H2/c1-30(2,3)25-11-9-24(10-12-25)29(22-33-14-13-23-19-26(31)21-27(32)20-23)35-17-15-34(16-18-35)28-7-5-4-6-8-28;1-30(2,3)27-16-14-26(15-17-27)29(24-31-19-18-25-10-6-4-7-11-25)33-22-20-32(21-23-33)28-12-8-5-9-13-28;1-23-8-10-24(11-9-23)16-17-29-22-28(25-12-14-27(32-2)15-13-25)31-20-18-30(19-21-31)26-6-4-3-5-7-26;26-21-11-13-22(14-12-21)28-25(31)27-19-24(20-7-3-1-4-8-20)30-17-15-29(16-18-30)23-9-5-2-6-10-23;;;/h9-12,19-21,28-29,33H,4-8,13-18,22H2,1-3H3;4,6-7,10-11,14-17,28-29,31H,5,8-9,12-13,18-24H2,1-3H3;3-15,28-29H,16-22H2,1-2H3;1-14,24H,15-19H2,(H2,27,28,31);3*1H.
What are the key properties of 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?
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 has a molecular weight of 1818.48 g/mol, XLogP of 22.87, 31 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159968000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).