5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde

C13H19N3O2 — CID 82892009

IUPAC5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde
SMILESCN1CCN(CCOc2ccc(C=O)nc2)CC1
InChIInChI=1S/C13H19N3O2/c1-15-4-6-16(7-5-15)8-9-18-13-3-2-12(11-17)14-10-13/h2-3,10-11H,4-9H2,1H3
InChIKeyLHKGXKJMBHWOIB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.52
Rot. Bonds5

About 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde

5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde (PubChem CID 82892009) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde
PubChem CID82892009
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde
SMILESCN1CCN(CCOc2ccc(C=O)nc2)CC1
InChIInChI=1S/C13H19N3O2/c1-15-4-6-16(7-5-15)8-9-18-13-3-2-12(11-17)14-10-13/h2-3,10-11H,4-9H2,1H3
InChIKeyLHKGXKJMBHWOIB-UHFFFAOYSA-N
XLogP0.52
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
CID 118271335
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
CID 6457262
1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
CID 86567481
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491
6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole
CID 90742823
potassium trifluoro-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boranuide
CID 82887204
6-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-4-carbaldehyde
CID 165399853
5-but-2-ynoxypyridine-2-carbaldehyde
CID 79794219
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 79793888
2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile
CID 43288567

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde?
The IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde (CID 82892009) is 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde is CN1CCN(CCOc2ccc(C=O)nc2)CC1.
What is the InChIKey of 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde?
The InChIKey is LHKGXKJMBHWOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-4-6-16(7-5-15)8-9-18-13-3-2-12(11-17)14-10-13/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde?
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde has a molecular weight of 249.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 82892009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).