4-methylpiperazine-1-carbaldehyde

C6H12N2O — CID 3269221

IUPAC4-methylpiperazine-1-carbaldehyde
SMILESCN1CCN(C=O)CC1
InChIInChI=1S/C6H12N2O/c1-7-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3
InChIKeyJQTMGOLZSBTZMS-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.61
Rot. Bonds1

About 4-methylpiperazine-1-carbaldehyde

4-methylpiperazine-1-carbaldehyde (PubChem CID 3269221) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 4-methylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-methylpiperazine-1-carbaldehyde
PubChem CID3269221
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name4-methylpiperazine-1-carbaldehyde
SMILESCN1CCN(C=O)CC1
InChIInChI=1S/C6H12N2O/c1-7-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3
InChIKeyJQTMGOLZSBTZMS-UHFFFAOYSA-N
XLogP-0.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-1-carbaldehyde?
The IUPAC name of 4-methylpiperazine-1-carbaldehyde (CID 3269221) is 4-methylpiperazine-1-carbaldehyde.
What is the SMILES notation for 4-methylpiperazine-1-carbaldehyde?
The canonical SMILES for 4-methylpiperazine-1-carbaldehyde is CN1CCN(C=O)CC1.
What is the InChIKey of 4-methylpiperazine-1-carbaldehyde?
The InChIKey is JQTMGOLZSBTZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3.
What are the key properties of 4-methylpiperazine-1-carbaldehyde?
4-methylpiperazine-1-carbaldehyde has a molecular weight of 128.18 g/mol, XLogP of -0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazine-1-carbaldehyde is sourced from PubChem (CID 3269221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).