2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol

C15H25NO3 — CID 111462332

IUPAC2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol
SMILESCCc1ccc(C2CCCCN2CCOCCO)o1
InChIInChI=1S/C15H25NO3/c1-2-13-6-7-15(19-13)14-5-3-4-8-16(14)9-11-18-12-10-17/h6-7,14,17H,2-5,8-12H2,1H3
InChIKeyICTHQOCERIQQSG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.38
Rot. Bonds7

About 2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol

2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol (PubChem CID 111462332) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol
PubChem CID111462332
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol
SMILESCCc1ccc(C2CCCCN2CCOCCO)o1
InChIInChI=1S/C15H25NO3/c1-2-13-6-7-15(19-13)14-5-3-4-8-16(14)9-11-18-12-10-17/h6-7,14,17H,2-5,8-12H2,1H3
InChIKeyICTHQOCERIQQSG-UHFFFAOYSA-N
XLogP2.38
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.38
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-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol (CID 111462332) is 2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol is CCc1ccc(C2CCCCN2CCOCCO)o1.
What is the InChIKey of 2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol?
The InChIKey is ICTHQOCERIQQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-13-6-7-15(19-13)14-5-3-4-8-16(14)9-11-18-12-10-17/h6-7,14,17H,2-5,8-12H2,1H3.
What are the key properties of 2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol?
2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol has a molecular weight of 267.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5-ethylfuran-2-yl)piperidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 111462332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).