4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde

C11H18FNO2 — CID 164659333

IUPAC4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde
SMILESO=CC1(N2CCC(F)CC2)CCOCC1
InChIInChI=1S/C11H18FNO2/c12-10-1-5-13(6-2-10)11(9-14)3-7-15-8-4-11/h9-10H,1-8H2
InChIKeyYCWOFDGBOQZXKD-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.17
Rot. Bonds2

About 4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde

4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde (PubChem CID 164659333) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde
PubChem CID164659333
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde
SMILESO=CC1(N2CCC(F)CC2)CCOCC1
InChIInChI=1S/C11H18FNO2/c12-10-1-5-13(6-2-10)11(9-14)3-7-15-8-4-11/h9-10H,1-8H2
InChIKeyYCWOFDGBOQZXKD-UHFFFAOYSA-N
XLogP1.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde?
The IUPAC name of 4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde (CID 164659333) is 4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde.
What is the SMILES notation for 4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde?
The canonical SMILES for 4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde is O=CC1(N2CCC(F)CC2)CCOCC1.
What is the InChIKey of 4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde?
The InChIKey is YCWOFDGBOQZXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c12-10-1-5-13(6-2-10)11(9-14)3-7-15-8-4-11/h9-10H,1-8H2.
What are the key properties of 4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde?
4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde has a molecular weight of 215.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidin-1-yl)oxane-4-carbaldehyde is sourced from PubChem (CID 164659333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).