2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol

C12H26N2O3 — CID 63617658

IUPAC2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol
SMILESCCOC(CN1CCN(CCO)CC1)OCC
InChIInChI=1S/C12H26N2O3/c1-3-16-12(17-4-2)11-14-7-5-13(6-8-14)9-10-15/h12,15H,3-11H2,1-2H3
InChIKeyHFOAIKNMSXNXMK-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.00
Rot. Bonds8

About 2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol

2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol (PubChem CID 63617658) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol
PubChem CID63617658
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol
SMILESCCOC(CN1CCN(CCO)CC1)OCC
InChIInChI=1S/C12H26N2O3/c1-3-16-12(17-4-2)11-14-7-5-13(6-8-14)9-10-15/h12,15H,3-11H2,1-2H3
InChIKeyHFOAIKNMSXNXMK-UHFFFAOYSA-N
XLogP-0.00
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol (CID 63617658) is 2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol is CCOC(CN1CCN(CCO)CC1)OCC.
What is the InChIKey of 2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol?
The InChIKey is HFOAIKNMSXNXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-3-16-12(17-4-2)11-14-7-5-13(6-8-14)9-10-15/h12,15H,3-11H2,1-2H3.
What are the key properties of 2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol?
2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol has a molecular weight of 246.35 g/mol, XLogP of -0.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-diethoxyethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 63617658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).