6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde

C13H18N2O2 — CID 80638673

IUPAC6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde
SMILESCCOC1CCN(c2ccc(C=O)cn2)CC1
InChIInChI=1S/C13H18N2O2/c1-2-17-12-5-7-15(8-6-12)13-4-3-11(10-16)9-14-13/h3-4,9-10,12H,2,5-8H2,1H3
InChIKeyGECDKSHYWLOKLE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.90
Rot. Bonds4

About 6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde

6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde (PubChem CID 80638673) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde
PubChem CID80638673
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde
SMILESCCOC1CCN(c2ccc(C=O)cn2)CC1
InChIInChI=1S/C13H18N2O2/c1-2-17-12-5-7-15(8-6-12)13-4-3-11(10-16)9-14-13/h3-4,9-10,12H,2,5-8H2,1H3
InChIKeyGECDKSHYWLOKLE-UHFFFAOYSA-N
XLogP1.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.90
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 6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde (CID 80638673) is 6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde is CCOC1CCN(c2ccc(C=O)cn2)CC1.
What is the InChIKey of 6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde?
The InChIKey is GECDKSHYWLOKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-12-5-7-15(8-6-12)13-4-3-11(10-16)9-14-13/h3-4,9-10,12H,2,5-8H2,1H3.
What are the key properties of 6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde?
6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 80638673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).