3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde

C11H20N2O2 — CID 62277704

IUPAC3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
SMILESCN1CCN(CC2(C=O)CCOC2)CC1
InChIInChI=1S/C11H20N2O2/c1-12-3-5-13(6-4-12)8-11(9-14)2-7-15-10-11/h9H,2-8,10H2,1H3
InChIKeyVEXKSWLBRWOANP-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.16
Rot. Bonds3

About 3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde

3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde (PubChem CID 62277704) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
PubChem CID62277704
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
SMILESCN1CCN(CC2(C=O)CCOC2)CC1
InChIInChI=1S/C11H20N2O2/c1-12-3-5-13(6-4-12)8-11(9-14)2-7-15-10-11/h9H,2-8,10H2,1H3
InChIKeyVEXKSWLBRWOANP-UHFFFAOYSA-N
XLogP-0.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.16
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 3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde (CID 62277704) is 3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde is CN1CCN(CC2(C=O)CCOC2)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
The InChIKey is VEXKSWLBRWOANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-3-5-13(6-4-12)8-11(9-14)2-7-15-10-11/h9H,2-8,10H2,1H3.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62277704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).