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

C14H24N2O2 — CID 55051843

IUPAC3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCN(CC3CC3)CC2)CCOC1
InChIInChI=1S/C14H24N2O2/c17-11-14(3-8-18-12-14)10-16-6-4-15(5-7-16)9-13-1-2-13/h11,13H,1-10,12H2
InChIKeyCWPJFOIODJDZDX-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.62
Rot. Bonds5

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

3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde (PubChem CID 55051843) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
PubChem CID55051843
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCN(CC3CC3)CC2)CCOC1
InChIInChI=1S/C14H24N2O2/c17-11-14(3-8-18-12-14)10-16-6-4-15(5-7-16)9-13-1-2-13/h11,13H,1-10,12H2
InChIKeyCWPJFOIODJDZDX-UHFFFAOYSA-N
XLogP0.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
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-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde (CID 55051843) is 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde is O=CC1(CN2CCN(CC3CC3)CC2)CCOC1.
What is the InChIKey of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde?
The InChIKey is CWPJFOIODJDZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-11-14(3-8-18-12-14)10-16-6-4-15(5-7-16)9-13-1-2-13/h11,13H,1-10,12H2.
What are the key properties of 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde?
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde has a molecular weight of 252.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 55051843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).