5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde

C12H17NO4 — CID 82690812

IUPAC5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(N2CCC(OCCO)CC2)o1
InChIInChI=1S/C12H17NO4/c14-7-8-16-10-3-5-13(6-4-10)12-2-1-11(9-15)17-12/h1-2,9-10,14H,3-8H2
InChIKeyYTIGQVQLMRYJAO-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.07
Rot. Bonds5

About 5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde

5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde (PubChem CID 82690812) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde
PubChem CID82690812
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(N2CCC(OCCO)CC2)o1
InChIInChI=1S/C12H17NO4/c14-7-8-16-10-3-5-13(6-4-10)12-2-1-11(9-15)17-12/h1-2,9-10,14H,3-8H2
InChIKeyYTIGQVQLMRYJAO-UHFFFAOYSA-N
XLogP1.07
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde (CID 82690812) is 5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde is O=Cc1ccc(N2CCC(OCCO)CC2)o1.
What is the InChIKey of 5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde?
The InChIKey is YTIGQVQLMRYJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c14-7-8-16-10-3-5-13(6-4-10)12-2-1-11(9-15)17-12/h1-2,9-10,14H,3-8H2.
What are the key properties of 5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde?
5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde has a molecular weight of 239.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethoxy)piperidin-1-yl]furan-2-carbaldehyde is sourced from PubChem (CID 82690812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).