2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde

C10H19N3O — CID 87486305

IUPAC2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde
SMILESO=CCN1CCCC1N1CCNCC1
InChIInChI=1S/C10H19N3O/c14-9-8-12-5-1-2-10(12)13-6-3-11-4-7-13/h9-11H,1-8H2
InChIKeySIMCDHXRBGPKNB-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.49
Rot. Bonds3

About 2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde

2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde (PubChem CID 87486305) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde
PubChem CID87486305
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde
SMILESO=CCN1CCCC1N1CCNCC1
InChIInChI=1S/C10H19N3O/c14-9-8-12-5-1-2-10(12)13-6-3-11-4-7-13/h9-11H,1-8H2
InChIKeySIMCDHXRBGPKNB-UHFFFAOYSA-N
XLogP-0.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
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 2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde?
The IUPAC name of 2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde (CID 87486305) is 2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde is O=CCN1CCCC1N1CCNCC1.
What is the InChIKey of 2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde?
The InChIKey is SIMCDHXRBGPKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c14-9-8-12-5-1-2-10(12)13-6-3-11-4-7-13/h9-11H,1-8H2.
What are the key properties of 2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde?
2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde has a molecular weight of 197.28 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylpyrrolidin-1-yl)acetaldehyde is sourced from PubChem (CID 87486305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).