4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde

C11H20N2O2 — CID 115027989

IUPAC4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde
SMILESCN1CCN(C2(C=O)CCOCC2)CC1
InChIInChI=1S/C11H20N2O2/c1-12-4-6-13(7-5-12)11(10-14)2-8-15-9-3-11/h10H,2-9H2,1H3
InChIKeyFWLWHELVSHSXAR-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.02
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde

4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde (PubChem CID 115027989) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde
PubChem CID115027989
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde
SMILESCN1CCN(C2(C=O)CCOCC2)CC1
InChIInChI=1S/C11H20N2O2/c1-12-4-6-13(7-5-12)11(10-14)2-8-15-9-3-11/h10H,2-9H2,1H3
InChIKeyFWLWHELVSHSXAR-UHFFFAOYSA-N
XLogP-0.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde?
The IUPAC name of 4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde (CID 115027989) is 4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde is CN1CCN(C2(C=O)CCOCC2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde?
The InChIKey is FWLWHELVSHSXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-4-6-13(7-5-12)11(10-14)2-8-15-9-3-11/h10H,2-9H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde?
4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)oxane-4-carbaldehyde is sourced from PubChem (CID 115027989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).