3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde

C13H24N2O2 — CID 62276584

IUPAC3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
SMILESCC(C)N1CCN(CC2(C=O)CCOC2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(2)15-6-4-14(5-7-15)9-13(10-16)3-8-17-11-13/h10,12H,3-9,11H2,1-2H3
InChIKeyQHRPHFFOYILPPH-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.62
Rot. Bonds4

About 3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde

3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde (PubChem CID 62276584) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
PubChem CID62276584
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
SMILESCC(C)N1CCN(CC2(C=O)CCOC2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(2)15-6-4-14(5-7-15)9-13(10-16)3-8-17-11-13/h10,12H,3-9,11H2,1-2H3
InChIKeyQHRPHFFOYILPPH-UHFFFAOYSA-N
XLogP0.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.62
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-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde (CID 62276584) is 3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde is CC(C)N1CCN(CC2(C=O)CCOC2)CC1.
What is the InChIKey of 3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
The InChIKey is QHRPHFFOYILPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2)15-6-4-14(5-7-15)9-13(10-16)3-8-17-11-13/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde has a molecular weight of 240.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62276584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).