2-(4-ethanimidoylpiperazin-1-yl)ethanol

C8H17N3O — CID 63173710

IUPAC2-(4-ethanimidoylpiperazin-1-yl)ethanol
SMILES[H]/N=C(\C)N1CCN(CCO)CC1
InChIInChI=1S/C8H17N3O/c1-8(9)11-4-2-10(3-5-11)6-7-12/h9,12H,2-7H2,1H3/b9-8+
InChIKeyHFXFYRVAYMZQGG-CMDGGOBGSA-N
MW171.24 g/mol
LogP-0.41
Rot. Bonds2

About 2-(4-ethanimidoylpiperazin-1-yl)ethanol

2-(4-ethanimidoylpiperazin-1-yl)ethanol (PubChem CID 63173710) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(4-ethanimidoylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-ethanimidoylpiperazin-1-yl)ethanol
PubChem CID63173710
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(4-ethanimidoylpiperazin-1-yl)ethanol
SMILES[H]/N=C(\C)N1CCN(CCO)CC1
InChIInChI=1S/C8H17N3O/c1-8(9)11-4-2-10(3-5-11)6-7-12/h9,12H,2-7H2,1H3/b9-8+
InChIKeyHFXFYRVAYMZQGG-CMDGGOBGSA-N
XLogP-0.41
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethanimidoylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-ethanimidoylpiperazin-1-yl)ethanol (CID 63173710) is 2-(4-ethanimidoylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-ethanimidoylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-ethanimidoylpiperazin-1-yl)ethanol is [H]/N=C(\C)N1CCN(CCO)CC1.
What is the InChIKey of 2-(4-ethanimidoylpiperazin-1-yl)ethanol?
The InChIKey is HFXFYRVAYMZQGG-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(9)11-4-2-10(3-5-11)6-7-12/h9,12H,2-7H2,1H3/b9-8+.
What are the key properties of 2-(4-ethanimidoylpiperazin-1-yl)ethanol?
2-(4-ethanimidoylpiperazin-1-yl)ethanol has a molecular weight of 171.24 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethanimidoylpiperazin-1-yl)ethanol is sourced from PubChem (CID 63173710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).