1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol

C11H24N2O2 — CID 102556457

IUPAC1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol
SMILESCCOCCN1CCN(CC(C)O)CC1
InChIInChI=1S/C11H24N2O2/c1-3-15-9-8-12-4-6-13(7-5-12)10-11(2)14/h11,14H,3-10H2,1-2H3
InChIKeyYAVAYSXETUULJG-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.02
Rot. Bonds6

About 1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol

1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol (PubChem CID 102556457) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol
PubChem CID102556457
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol
SMILESCCOCCN1CCN(CC(C)O)CC1
InChIInChI=1S/C11H24N2O2/c1-3-15-9-8-12-4-6-13(7-5-12)10-11(2)14/h11,14H,3-10H2,1-2H3
InChIKeyYAVAYSXETUULJG-UHFFFAOYSA-N
XLogP0.02
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.02
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 1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol (CID 102556457) is 1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol is CCOCCN1CCN(CC(C)O)CC1.
What is the InChIKey of 1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is YAVAYSXETUULJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-15-9-8-12-4-6-13(7-5-12)10-11(2)14/h11,14H,3-10H2,1-2H3.
What are the key properties of 1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol?
1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 102556457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).