2,4-dimethylpiperazine-2-carbaldehyde

C7H14N2O — CID 59942681

IUPAC2,4-dimethylpiperazine-2-carbaldehyde
SMILESCN1CCNC(C)(C=O)C1
InChIInChI=1S/C7H14N2O/c1-7(6-10)5-9(2)4-3-8-7/h6,8H,3-5H2,1-2H3
InChIKeyQDINQMOHSJTZKL-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.52
Rot. Bonds1

About 2,4-dimethylpiperazine-2-carbaldehyde

2,4-dimethylpiperazine-2-carbaldehyde (PubChem CID 59942681) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,4-dimethylpiperazine-2-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethylpiperazine-2-carbaldehyde
PubChem CID59942681
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2,4-dimethylpiperazine-2-carbaldehyde
SMILESCN1CCNC(C)(C=O)C1
InChIInChI=1S/C7H14N2O/c1-7(6-10)5-9(2)4-3-8-7/h6,8H,3-5H2,1-2H3
InChIKeyQDINQMOHSJTZKL-UHFFFAOYSA-N
XLogP-0.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
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 2,4-dimethylpiperazine-2-carbaldehyde?
The IUPAC name of 2,4-dimethylpiperazine-2-carbaldehyde (CID 59942681) is 2,4-dimethylpiperazine-2-carbaldehyde.
What is the SMILES notation for 2,4-dimethylpiperazine-2-carbaldehyde?
The canonical SMILES for 2,4-dimethylpiperazine-2-carbaldehyde is CN1CCNC(C)(C=O)C1.
What is the InChIKey of 2,4-dimethylpiperazine-2-carbaldehyde?
The InChIKey is QDINQMOHSJTZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(6-10)5-9(2)4-3-8-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 2,4-dimethylpiperazine-2-carbaldehyde?
2,4-dimethylpiperazine-2-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpiperazine-2-carbaldehyde is sourced from PubChem (CID 59942681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).