2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone

C11H18FNO2 — CID 164659307

IUPAC2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CCCC(F)C1)C1CCOC1
InChIInChI=1S/C11H18FNO2/c12-10-2-1-4-13(6-10)7-11(14)9-3-5-15-8-9/h9-10H,1-8H2
InChIKeyZVBYZBAURBPACX-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.03
Rot. Bonds3

About 2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone

2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone (PubChem CID 164659307) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone
PubChem CID164659307
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CCCC(F)C1)C1CCOC1
InChIInChI=1S/C11H18FNO2/c12-10-2-1-4-13(6-10)7-11(14)9-3-5-15-8-9/h9-10H,1-8H2
InChIKeyZVBYZBAURBPACX-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone (CID 164659307) is 2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone is O=C(CN1CCCC(F)C1)C1CCOC1.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone?
The InChIKey is ZVBYZBAURBPACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c12-10-2-1-4-13(6-10)7-11(14)9-3-5-15-8-9/h9-10H,1-8H2.
What are the key properties of 2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone?
2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone has a molecular weight of 215.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 164659307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).