2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine

C27H35Cl3N2 — CID 59261645

IUPAC2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine
SMILESCCC(C)(C)C1CCC(N2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C27H35Cl3N2/c1-4-27(2,3)20-7-12-23(13-8-20)31-15-16-32(25-14-11-22(29)17-24(25)30)26(18-31)19-5-9-21(28)10-6-19/h5-6,9-11,14,17,20,23,26H,4,7-8,12-13,15-16,18H2,1-3H3
InChIKeyWUWQUSXODJSFDN-UHFFFAOYSA-N
MW493.95 g/mol
LogP8.51
Rot. Bonds5

About 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine (PubChem CID 59261645) has the molecular formula C27H35Cl3N2 and a molecular weight of 493.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine
PubChem CID59261645
Molecular FormulaC27H35Cl3N2
Molecular Weight493.95 g/mol
Exact Mass492.19
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine
SMILESCCC(C)(C)C1CCC(N2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C27H35Cl3N2/c1-4-27(2,3)20-7-12-23(13-8-20)31-15-16-32(25-14-11-22(29)17-24(25)30)26(18-31)19-5-9-21(28)10-6-19/h5-6,9-11,14,17,20,23,26H,4,7-8,12-13,15-16,18H2,1-3H3
InChIKeyWUWQUSXODJSFDN-UHFFFAOYSA-N
XLogP8.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.95
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine (CID 59261645) is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine is CCC(C)(C)C1CCC(N2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine?
The InChIKey is WUWQUSXODJSFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35Cl3N2/c1-4-27(2,3)20-7-12-23(13-8-20)31-15-16-32(25-14-11-22(29)17-24(25)30)26(18-31)19-5-9-21(28)10-6-19/h5-6,9-11,14,17,20,23,26H,4,7-8,12-13,15-16,18H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine?
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine has a molecular weight of 493.95 g/mol, XLogP of 8.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine is sourced from PubChem (CID 59261645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).