6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde

C13H19N3O — CID 80631815

IUPAC6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde
SMILESCCN1CCN(c2ccc(C=O)cn2)CC1C
InChIInChI=1S/C13H19N3O/c1-3-15-6-7-16(9-11(15)2)13-5-4-12(10-17)8-14-13/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyQGGAPSXTNJVZBG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.42
Rot. Bonds3

About 6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde

6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde (PubChem CID 80631815) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde
PubChem CID80631815
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde
SMILESCCN1CCN(c2ccc(C=O)cn2)CC1C
InChIInChI=1S/C13H19N3O/c1-3-15-6-7-16(9-11(15)2)13-5-4-12(10-17)8-14-13/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyQGGAPSXTNJVZBG-UHFFFAOYSA-N
XLogP1.42
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 55218133
2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine
CID 80634567
6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 165460442
6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carbaldehyde
CID 82863867
6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 80632070
6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80638888
6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde
CID 80638673
5-(4-ethyl-3-methylpiperazin-1-yl)pyridin-2-amine
CID 63608912
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471
N-[[5-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926454
5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 113321627
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
CID 102884285

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde (CID 80631815) is 6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde is CCN1CCN(c2ccc(C=O)cn2)CC1C.
What is the InChIKey of 6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde?
The InChIKey is QGGAPSXTNJVZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-15-6-7-16(9-11(15)2)13-5-4-12(10-17)8-14-13/h4-5,8,10-11H,3,6-7,9H2,1-2H3.
What are the key properties of 6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde?
6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde has a molecular weight of 233.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 80631815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).