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

C21H27ClN2O2 — CID 141127863

IUPAC2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1
InChIInChI=1S/C21H27ClN2O2/c22-19-6-8-20(9-7-19)24-11-10-23(12-14-26-15-13-25)21(17-24)16-18-4-2-1-3-5-18/h1-9,21,25H,10-17H2
InChIKeyPIUINAZMBUALGT-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.08
Rot. Bonds8

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

2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol (PubChem CID 141127863) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol
PubChem CID141127863
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1
InChIInChI=1S/C21H27ClN2O2/c22-19-6-8-20(9-7-19)24-11-10-23(12-14-26-15-13-25)21(17-24)16-18-4-2-1-3-5-18/h1-9,21,25H,10-17H2
InChIKeyPIUINAZMBUALGT-UHFFFAOYSA-N
XLogP3.08
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol (CID 141127863) is 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol is OCCOCCN1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1.
What is the InChIKey of 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol?
The InChIKey is PIUINAZMBUALGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c22-19-6-8-20(9-7-19)24-11-10-23(12-14-26-15-13-25)21(17-24)16-18-4-2-1-3-5-18/h1-9,21,25H,10-17H2.
What are the key properties of 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol?
2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol has a molecular weight of 374.91 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 141127863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).