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

C16H21FN2O2 — CID 62277132

IUPAC3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCN(c3ccc(F)cc3)CC2)CCOC1
InChIInChI=1S/C16H21FN2O2/c17-14-1-3-15(4-2-14)19-8-6-18(7-9-19)11-16(12-20)5-10-21-13-16/h1-4,12H,5-11,13H2
InChIKeyULFWFOPIWIUIQR-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.55
Rot. Bonds4

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

3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde (PubChem CID 62277132) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
PubChem CID62277132
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCN(c3ccc(F)cc3)CC2)CCOC1
InChIInChI=1S/C16H21FN2O2/c17-14-1-3-15(4-2-14)19-8-6-18(7-9-19)11-16(12-20)5-10-21-13-16/h1-4,12H,5-11,13H2
InChIKeyULFWFOPIWIUIQR-UHFFFAOYSA-N
XLogP1.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.55
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-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde (CID 62277132) is 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde is O=CC1(CN2CCN(c3ccc(F)cc3)CC2)CCOC1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde?
The InChIKey is ULFWFOPIWIUIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-14-1-3-15(4-2-14)19-8-6-18(7-9-19)11-16(12-20)5-10-21-13-16/h1-4,12H,5-11,13H2.
What are the key properties of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde?
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde has a molecular weight of 292.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62277132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).