2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol

C21H26Cl2N2O2 — CID 118109245

IUPAC2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26Cl2N2O2/c22-19-5-1-17(2-6-19)21(18-3-7-20(23)8-4-18)25-11-9-24(10-12-25)13-15-27-16-14-26/h1-8,21,26H,9-16H2
InChIKeyRGDPDSUFMWIZNT-UHFFFAOYSA-N
MW409.36 g/mol
LogP3.71
Rot. Bonds8

About 2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol

2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol (PubChem CID 118109245) has the molecular formula C21H26Cl2N2O2 and a molecular weight of 409.36 g/mol. Its IUPAC name is 2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
PubChem CID118109245
Molecular FormulaC21H26Cl2N2O2
Molecular Weight409.36 g/mol
Exact Mass408.14
IUPAC Name2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26Cl2N2O2/c22-19-5-1-17(2-6-19)21(18-3-7-20(23)8-4-18)25-11-9-24(10-12-25)13-15-27-16-14-26/h1-8,21,26H,9-16H2
InChIKeyRGDPDSUFMWIZNT-UHFFFAOYSA-N
XLogP3.71
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol 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-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol (CID 118109245) is 2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol is OCCOCCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
The InChIKey is RGDPDSUFMWIZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O2/c22-19-5-1-17(2-6-19)21(18-3-7-20(23)8-4-18)25-11-9-24(10-12-25)13-15-27-16-14-26/h1-8,21,26H,9-16H2.
What are the key properties of 2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol has a molecular weight of 409.36 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 118109245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).