2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde

C10H19N3O2 — CID 87787826

IUPAC2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde
SMILESO=CCN1CCNCC1N1CCOCC1
InChIInChI=1S/C10H19N3O2/c14-6-3-12-2-1-11-9-10(12)13-4-7-15-8-5-13/h6,10-11H,1-5,7-9H2
InChIKeyWZJFISXPTFXHRX-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.25
Rot. Bonds3

About 2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde

2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde (PubChem CID 87787826) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde
PubChem CID87787826
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde
SMILESO=CCN1CCNCC1N1CCOCC1
InChIInChI=1S/C10H19N3O2/c14-6-3-12-2-1-11-9-10(12)13-4-7-15-8-5-13/h6,10-11H,1-5,7-9H2
InChIKeyWZJFISXPTFXHRX-UHFFFAOYSA-N
XLogP-1.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde?
The IUPAC name of 2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde (CID 87787826) is 2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde is O=CCN1CCNCC1N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde?
The InChIKey is WZJFISXPTFXHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c14-6-3-12-2-1-11-9-10(12)13-4-7-15-8-5-13/h6,10-11H,1-5,7-9H2.
What are the key properties of 2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde?
2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde has a molecular weight of 213.28 g/mol, XLogP of -1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylpiperazin-1-yl)acetaldehyde is sourced from PubChem (CID 87787826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).