4-methylpiperazine-2-carbaldehyde

C6H12N2O — CID 88855945

IUPAC4-methylpiperazine-2-carbaldehyde
SMILESCN1CCNC(C=O)C1
InChIInChI=1S/C6H12N2O/c1-8-3-2-7-6(4-8)5-9/h5-7H,2-4H2,1H3
InChIKeyZFHVVLWPFKOHJD-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.91
Rot. Bonds1

About 4-methylpiperazine-2-carbaldehyde

4-methylpiperazine-2-carbaldehyde (PubChem CID 88855945) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 4-methylpiperazine-2-carbaldehyde.

Molecular Properties

Compound Name4-methylpiperazine-2-carbaldehyde
PubChem CID88855945
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name4-methylpiperazine-2-carbaldehyde
SMILESCN1CCNC(C=O)C1
InChIInChI=1S/C6H12N2O/c1-8-3-2-7-6(4-8)5-9/h5-7H,2-4H2,1H3
InChIKeyZFHVVLWPFKOHJD-UHFFFAOYSA-N
XLogP-0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.91
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 4-methylpiperazine-2-carbaldehyde?
The IUPAC name of 4-methylpiperazine-2-carbaldehyde (CID 88855945) is 4-methylpiperazine-2-carbaldehyde.
What is the SMILES notation for 4-methylpiperazine-2-carbaldehyde?
The canonical SMILES for 4-methylpiperazine-2-carbaldehyde is CN1CCNC(C=O)C1.
What is the InChIKey of 4-methylpiperazine-2-carbaldehyde?
The InChIKey is ZFHVVLWPFKOHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-3-2-7-6(4-8)5-9/h5-7H,2-4H2,1H3.
What are the key properties of 4-methylpiperazine-2-carbaldehyde?
4-methylpiperazine-2-carbaldehyde has a molecular weight of 128.18 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazine-2-carbaldehyde is sourced from PubChem (CID 88855945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).