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

C13H22N2O2 — CID 55051745

IUPAC3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCN(C3CC3)CC2)CCOC1
InChIInChI=1S/C13H22N2O2/c16-10-13(3-8-17-11-13)9-14-4-6-15(7-5-14)12-1-2-12/h10,12H,1-9,11H2
InChIKeyFVKHHOREYUJQQG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.37
Rot. Bonds4

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

3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde (PubChem CID 55051745) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
PubChem CID55051745
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCN(C3CC3)CC2)CCOC1
InChIInChI=1S/C13H22N2O2/c16-10-13(3-8-17-11-13)9-14-4-6-15(7-5-14)12-1-2-12/h10,12H,1-9,11H2
InChIKeyFVKHHOREYUJQQG-UHFFFAOYSA-N
XLogP0.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.37
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-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde (CID 55051745) is 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde is O=CC1(CN2CCN(C3CC3)CC2)CCOC1.
What is the InChIKey of 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
The InChIKey is FVKHHOREYUJQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-10-13(3-8-17-11-13)9-14-4-6-15(7-5-14)12-1-2-12/h10,12H,1-9,11H2.
What are the key properties of 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde?
3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde has a molecular weight of 238.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 55051745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).