1,4-diethylpiperazine-2-carbaldehyde

C9H18N2O — CID 45099558

IUPAC1,4-diethylpiperazine-2-carbaldehyde
SMILESCCN1CCN(CC)C(C=O)C1
InChIInChI=1S/C9H18N2O/c1-3-10-5-6-11(4-2)9(7-10)8-12/h8-9H,3-7H2,1-2H3
InChIKeyCXEFEFLODGMEBZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.21
Rot. Bonds3

About 1,4-diethylpiperazine-2-carbaldehyde

1,4-diethylpiperazine-2-carbaldehyde (PubChem CID 45099558) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,4-diethylpiperazine-2-carbaldehyde.

Molecular Properties

Compound Name1,4-diethylpiperazine-2-carbaldehyde
PubChem CID45099558
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1,4-diethylpiperazine-2-carbaldehyde
SMILESCCN1CCN(CC)C(C=O)C1
InChIInChI=1S/C9H18N2O/c1-3-10-5-6-11(4-2)9(7-10)8-12/h8-9H,3-7H2,1-2H3
InChIKeyCXEFEFLODGMEBZ-UHFFFAOYSA-N
XLogP0.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethylpiperazine-2-carbaldehyde?
The IUPAC name of 1,4-diethylpiperazine-2-carbaldehyde (CID 45099558) is 1,4-diethylpiperazine-2-carbaldehyde.
What is the SMILES notation for 1,4-diethylpiperazine-2-carbaldehyde?
The canonical SMILES for 1,4-diethylpiperazine-2-carbaldehyde is CCN1CCN(CC)C(C=O)C1.
What is the InChIKey of 1,4-diethylpiperazine-2-carbaldehyde?
The InChIKey is CXEFEFLODGMEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-10-5-6-11(4-2)9(7-10)8-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 1,4-diethylpiperazine-2-carbaldehyde?
1,4-diethylpiperazine-2-carbaldehyde has a molecular weight of 170.26 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylpiperazine-2-carbaldehyde is sourced from PubChem (CID 45099558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).