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

C14H20N2O — CID 80632070

IUPAC6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde
SMILESCCCC1CCN(c2ccc(C=O)cn2)CC1
InChIInChI=1S/C14H20N2O/c1-2-3-12-6-8-16(9-7-12)14-5-4-13(11-17)10-15-14/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyFVCYXKXZHOSVMO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.91
Rot. Bonds4

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

6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde (PubChem CID 80632070) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde
PubChem CID80632070
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde
SMILESCCCC1CCN(c2ccc(C=O)cn2)CC1
InChIInChI=1S/C14H20N2O/c1-2-3-12-6-8-16(9-7-12)14-5-4-13(11-17)10-15-14/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyFVCYXKXZHOSVMO-UHFFFAOYSA-N
XLogP2.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde (CID 80632070) is 6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde is CCCC1CCN(c2ccc(C=O)cn2)CC1.
What is the InChIKey of 6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde?
The InChIKey is FVCYXKXZHOSVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-12-6-8-16(9-7-12)14-5-4-13(11-17)10-15-14/h4-5,10-12H,2-3,6-9H2,1H3.
What are the key properties of 6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde?
6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde has a molecular weight of 232.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 80632070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).