5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde

C16H16FNO2 — CID 169334209

IUPAC5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N3CCCCC3)c(F)c2)o1
InChIInChI=1S/C16H16FNO2/c17-14-10-12(16-7-5-13(11-19)20-16)4-6-15(14)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2
InChIKeyWKSQYJSLGYYVLF-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.89
Rot. Bonds3

About 5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde

5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde (PubChem CID 169334209) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde
PubChem CID169334209
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N3CCCCC3)c(F)c2)o1
InChIInChI=1S/C16H16FNO2/c17-14-10-12(16-7-5-13(11-19)20-16)4-6-15(14)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2
InChIKeyWKSQYJSLGYYVLF-UHFFFAOYSA-N
XLogP3.89
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde (CID 169334209) is 5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(N3CCCCC3)c(F)c2)o1.
What is the InChIKey of 5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde?
The InChIKey is WKSQYJSLGYYVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-14-10-12(16-7-5-13(11-19)20-16)4-6-15(14)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde?
5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde has a molecular weight of 273.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169334209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).