2-(2,6-dimethylpiperazin-1-yl)propanal

C9H18N2O — CID 174654248

IUPAC2-(2,6-dimethylpiperazin-1-yl)propanal
SMILESCC(C=O)N1C(C)CNCC1C
InChIInChI=1S/C9H18N2O/c1-7-4-10-5-8(2)11(7)9(3)6-12/h6-10H,4-5H2,1-3H3
InChIKeyBXLJQWQYMHZGDL-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.26
Rot. Bonds2

About 2-(2,6-dimethylpiperazin-1-yl)propanal

2-(2,6-dimethylpiperazin-1-yl)propanal (PubChem CID 174654248) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperazin-1-yl)propanal.

Molecular Properties

Compound Name2-(2,6-dimethylpiperazin-1-yl)propanal
PubChem CID174654248
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2,6-dimethylpiperazin-1-yl)propanal
SMILESCC(C=O)N1C(C)CNCC1C
InChIInChI=1S/C9H18N2O/c1-7-4-10-5-8(2)11(7)9(3)6-12/h6-10H,4-5H2,1-3H3
InChIKeyBXLJQWQYMHZGDL-UHFFFAOYSA-N
XLogP0.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,6-dimethylpiperazin-1-yl)propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperazin-1-yl)propanal?
The IUPAC name of 2-(2,6-dimethylpiperazin-1-yl)propanal (CID 174654248) is 2-(2,6-dimethylpiperazin-1-yl)propanal.
What is the SMILES notation for 2-(2,6-dimethylpiperazin-1-yl)propanal?
The canonical SMILES for 2-(2,6-dimethylpiperazin-1-yl)propanal is CC(C=O)N1C(C)CNCC1C.
What is the InChIKey of 2-(2,6-dimethylpiperazin-1-yl)propanal?
The InChIKey is BXLJQWQYMHZGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-4-10-5-8(2)11(7)9(3)6-12/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-(2,6-dimethylpiperazin-1-yl)propanal?
2-(2,6-dimethylpiperazin-1-yl)propanal has a molecular weight of 170.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperazin-1-yl)propanal is sourced from PubChem (CID 174654248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).