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

C16H16FNO2 — CID 169335017

IUPAC5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2N2CCCCC2)o1
InChIInChI=1S/C16H16FNO2/c17-14-6-4-5-13(15-8-7-12(11-19)20-15)16(14)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2
InChIKeyAUISRNQRZQBXEQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.89
Rot. Bonds3

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

5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde (PubChem CID 169335017) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde
PubChem CID169335017
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2N2CCCCC2)o1
InChIInChI=1S/C16H16FNO2/c17-14-6-4-5-13(15-8-7-12(11-19)20-15)16(14)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2
InChIKeyAUISRNQRZQBXEQ-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'}

Analyze 5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carbaldehyde
CID 169334108
5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde
CID 169334507
1-[2-fluoro-6-(furan-2-yl)phenyl]pyrrolidine
CID 168527653
5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169334647
5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde
CID 169332959
5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde
CID 169332423
5-(1-methyl-2-oxo-3,4-dihydroquinazolin-8-yl)furan-2-carbaldehyde
CID 169335455
1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
CID 168514829
3-fluoro-2-piperidin-1-ylbenzoic acid
CID 62649816
5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde
CID 169334993
5-[2-(3,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169333066
5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 22562092

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde (CID 169335017) is 5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(F)c2N2CCCCC2)o1.
What is the InChIKey of 5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde?
The InChIKey is AUISRNQRZQBXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-14-6-4-5-13(15-8-7-12(11-19)20-15)16(14)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2.
What are the key properties of 5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde?
5-(3-fluoro-2-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-2-piperidin-1-ylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169335017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).