5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde

C17H23FN2O2 — CID 135019984

IUPAC5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde
SMILESCCCCC(=O)Cc1nc(N2CCCCC2)c(F)cc1C=O
InChIInChI=1S/C17H23FN2O2/c1-2-3-7-14(22)11-16-13(12-21)10-15(18)17(19-16)20-8-5-4-6-9-20/h10,12H,2-9,11H2,1H3
InChIKeyKQOPKSNYTPIVJX-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.33
Rot. Bonds7

About 5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde

5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde (PubChem CID 135019984) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde
PubChem CID135019984
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde
SMILESCCCCC(=O)Cc1nc(N2CCCCC2)c(F)cc1C=O
InChIInChI=1S/C17H23FN2O2/c1-2-3-7-14(22)11-16-13(12-21)10-15(18)17(19-16)20-8-5-4-6-9-20/h10,12H,2-9,11H2,1H3
InChIKeyKQOPKSNYTPIVJX-UHFFFAOYSA-N
XLogP3.33
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde?
The IUPAC name of 5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde (CID 135019984) is 5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde?
The canonical SMILES for 5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde is CCCCC(=O)Cc1nc(N2CCCCC2)c(F)cc1C=O.
What is the InChIKey of 5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde?
The InChIKey is KQOPKSNYTPIVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-2-3-7-14(22)11-16-13(12-21)10-15(18)17(19-16)20-8-5-4-6-9-20/h10,12H,2-9,11H2,1H3.
What are the key properties of 5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde?
5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde has a molecular weight of 306.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-oxohexyl)-6-piperidin-1-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 135019984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).