5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde

C17H18FNO2 — CID 169332995

IUPAC5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde
SMILESCC1CCN(c2ccc(-c3ccc(C=O)o3)cc2F)CC1
InChIInChI=1S/C17H18FNO2/c1-12-6-8-19(9-7-12)16-4-2-13(10-15(16)18)17-5-3-14(11-20)21-17/h2-5,10-12H,6-9H2,1H3
InChIKeyNJOVVXGNFCFGTF-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.13
Rot. Bonds3

About 5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde

5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde (PubChem CID 169332995) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde
PubChem CID169332995
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde
SMILESCC1CCN(c2ccc(-c3ccc(C=O)o3)cc2F)CC1
InChIInChI=1S/C17H18FNO2/c1-12-6-8-19(9-7-12)16-4-2-13(10-15(16)18)17-5-3-14(11-20)21-17/h2-5,10-12H,6-9H2,1H3
InChIKeyNJOVVXGNFCFGTF-UHFFFAOYSA-N
XLogP4.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.13
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-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde (CID 169332995) is 5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde is CC1CCN(c2ccc(-c3ccc(C=O)o3)cc2F)CC1.
What is the InChIKey of 5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is NJOVVXGNFCFGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-6-8-19(9-7-12)16-4-2-13(10-15(16)18)17-5-3-14(11-20)21-17/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde?
5-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 287.33 g/mol, XLogP of 4.13, 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-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).