1,4-diethylpiperazine-2,2-diol

C8H18N2O2 — CID 67913900

IUPAC1,4-diethylpiperazine-2,2-diol
SMILESCCN1CCN(CC)C(O)(O)C1
InChIInChI=1S/C8H18N2O2/c1-3-9-5-6-10(4-2)8(11,12)7-9/h11-12H,3-7H2,1-2H3
InChIKeyPJCJBIADJGDOHC-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.72
Rot. Bonds2

About 1,4-diethylpiperazine-2,2-diol

1,4-diethylpiperazine-2,2-diol (PubChem CID 67913900) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1,4-diethylpiperazine-2,2-diol.

Molecular Properties

Compound Name1,4-diethylpiperazine-2,2-diol
PubChem CID67913900
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1,4-diethylpiperazine-2,2-diol
SMILESCCN1CCN(CC)C(O)(O)C1
InChIInChI=1S/C8H18N2O2/c1-3-9-5-6-10(4-2)8(11,12)7-9/h11-12H,3-7H2,1-2H3
InChIKeyPJCJBIADJGDOHC-UHFFFAOYSA-N
XLogP-0.72
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1,4-diethylpiperazine;sulfane
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4,10-diethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
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(4-ethylpiperazin-1-yl)methanol;methane
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Frequently Asked Questions

What is the IUPAC name of 1,4-diethylpiperazine-2,2-diol?
The IUPAC name of 1,4-diethylpiperazine-2,2-diol (CID 67913900) is 1,4-diethylpiperazine-2,2-diol.
What is the SMILES notation for 1,4-diethylpiperazine-2,2-diol?
The canonical SMILES for 1,4-diethylpiperazine-2,2-diol is CCN1CCN(CC)C(O)(O)C1.
What is the InChIKey of 1,4-diethylpiperazine-2,2-diol?
The InChIKey is PJCJBIADJGDOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-9-5-6-10(4-2)8(11,12)7-9/h11-12H,3-7H2,1-2H3.
What are the key properties of 1,4-diethylpiperazine-2,2-diol?
1,4-diethylpiperazine-2,2-diol has a molecular weight of 174.24 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylpiperazine-2,2-diol is sourced from PubChem (CID 67913900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).