1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol

C17H23NO3 — CID 23107075

IUPAC1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol
SMILESOC1CCCN(CCOCCc2ccc3occc3c2)C1
InChIInChI=1S/C17H23NO3/c19-16-2-1-7-18(13-16)8-11-20-9-5-14-3-4-17-15(12-14)6-10-21-17/h3-4,6,10,12,16,19H,1-2,5,7-9,11,13H2
InChIKeyQAMKMFUOXSIKLM-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.45
Rot. Bonds6

About 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol

1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol (PubChem CID 23107075) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol
PubChem CID23107075
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol
SMILESOC1CCCN(CCOCCc2ccc3occc3c2)C1
InChIInChI=1S/C17H23NO3/c19-16-2-1-7-18(13-16)8-11-20-9-5-14-3-4-17-15(12-14)6-10-21-17/h3-4,6,10,12,16,19H,1-2,5,7-9,11,13H2
InChIKeyQAMKMFUOXSIKLM-UHFFFAOYSA-N
XLogP2.45
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.45
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-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol?
The IUPAC name of 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol (CID 23107075) is 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol?
The canonical SMILES for 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol is OC1CCCN(CCOCCc2ccc3occc3c2)C1.
What is the InChIKey of 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol?
The InChIKey is QAMKMFUOXSIKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16-2-1-7-18(13-16)8-11-20-9-5-14-3-4-17-15(12-14)6-10-21-17/h3-4,6,10,12,16,19H,1-2,5,7-9,11,13H2.
What are the key properties of 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol?
1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol has a molecular weight of 289.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]piperidin-3-ol is sourced from PubChem (CID 23107075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).