3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde

C13H18N4O — CID 123583794

IUPAC3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
SMILESO=CN1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C13H18N4O/c18-11-15-9-12(10-15)16-5-7-17(8-6-16)13-3-1-2-4-14-13/h1-4,11-12H,5-10H2
InChIKeyWQNILONOBOFTAF-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.04
Rot. Bonds3

About 3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde

3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde (PubChem CID 123583794) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
PubChem CID123583794
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
SMILESO=CN1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C13H18N4O/c18-11-15-9-12(10-15)16-5-7-17(8-6-16)13-3-1-2-4-14-13/h1-4,11-12H,5-10H2
InChIKeyWQNILONOBOFTAF-UHFFFAOYSA-N
XLogP0.04
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.04
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

4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
CID 126893450
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile
CID 126893637
1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893375
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]azepan-2-one
CID 126893583
[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126893336
2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893632

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde?
The IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde (CID 123583794) is 3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde?
The canonical SMILES for 3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde is O=CN1CC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde?
The InChIKey is WQNILONOBOFTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-11-15-9-12(10-15)16-5-7-17(8-6-16)13-3-1-2-4-14-13/h1-4,11-12H,5-10H2.
What are the key properties of 3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde?
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde has a molecular weight of 246.31 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde is sourced from PubChem (CID 123583794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).