1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine

C23H27Cl3N2 — CID 141173995

IUPAC1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine
SMILESClc1ccc(C(c2ccc(Cl)cc2Cl)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C23H27Cl3N2/c24-18-8-6-17(7-9-18)23(21-11-10-19(25)16-22(21)26)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2
InChIKeyVFHRZCHAHAGXMH-UHFFFAOYSA-N
MW437.84 g/mol
LogP6.69
Rot. Bonds4

About 1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine

1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine (PubChem CID 141173995) has the molecular formula C23H27Cl3N2 and a molecular weight of 437.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine
PubChem CID141173995
Molecular FormulaC23H27Cl3N2
Molecular Weight437.84 g/mol
Exact Mass436.12
IUPAC Name1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine
SMILESClc1ccc(C(c2ccc(Cl)cc2Cl)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C23H27Cl3N2/c24-18-8-6-17(7-9-18)23(21-11-10-19(25)16-22(21)26)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2
InChIKeyVFHRZCHAHAGXMH-UHFFFAOYSA-N
XLogP6.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.84
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine 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 1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine (CID 141173995) is 1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine is Clc1ccc(C(c2ccc(Cl)cc2Cl)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine?
The InChIKey is VFHRZCHAHAGXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl3N2/c24-18-8-6-17(7-9-18)23(21-11-10-19(25)16-22(21)26)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2.
What are the key properties of 1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine?
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine has a molecular weight of 437.84 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]-4-cyclohexylpiperazine is sourced from PubChem (CID 141173995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).