5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde

C14H21N3O — CID 80636949

IUPAC5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde
SMILESCCCN1CCN(c2ncc(C=O)cc2C)CC1
InChIInChI=1S/C14H21N3O/c1-3-4-16-5-7-17(8-6-16)14-12(2)9-13(11-18)10-15-14/h9-11H,3-8H2,1-2H3
InChIKeyBCVBRCDBQXRBKU-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.73
Rot. Bonds4

About 5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde

5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde (PubChem CID 80636949) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde
PubChem CID80636949
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde
SMILESCCCN1CCN(c2ncc(C=O)cc2C)CC1
InChIInChI=1S/C14H21N3O/c1-3-4-16-5-7-17(8-6-16)14-12(2)9-13(11-18)10-15-14/h9-11H,3-8H2,1-2H3
InChIKeyBCVBRCDBQXRBKU-UHFFFAOYSA-N
XLogP1.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.73
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-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde (CID 80636949) is 5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde is CCCN1CCN(c2ncc(C=O)cc2C)CC1.
What is the InChIKey of 5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde?
The InChIKey is BCVBRCDBQXRBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-4-16-5-7-17(8-6-16)14-12(2)9-13(11-18)10-15-14/h9-11H,3-8H2,1-2H3.
What are the key properties of 5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde?
5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde has a molecular weight of 247.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 80636949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).