2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol

C15H23ClN2O2 — CID 2223706

IUPAC2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O2/c16-15-3-1-2-14(12-15)13-18-6-4-17(5-7-18)8-10-20-11-9-19/h1-3,12,19H,4-11,13H2
InChIKeyMLCVSEGNFFHPDC-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.47
Rot. Bonds7

About 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol

2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol (PubChem CID 2223706) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
PubChem CID2223706
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O2/c16-15-3-1-2-14(12-15)13-18-6-4-17(5-7-18)8-10-20-11-9-19/h1-3,12,19H,4-11,13H2
InChIKeyMLCVSEGNFFHPDC-UHFFFAOYSA-N
XLogP1.47
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.47
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-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol (CID 2223706) is 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol is OCCOCCN1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
The InChIKey is MLCVSEGNFFHPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c16-15-3-1-2-14(12-15)13-18-6-4-17(5-7-18)8-10-20-11-9-19/h1-3,12,19H,4-11,13H2.
What are the key properties of 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol has a molecular weight of 298.81 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 2223706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).