3-[fluoro(oxan-4-yl)methyl]piperidine

C11H20FNO — CID 112565356

IUPAC3-[fluoro(oxan-4-yl)methyl]piperidine
SMILESFC(C1CCOCC1)C1CCCNC1
InChIInChI=1S/C11H20FNO/c12-11(9-3-6-14-7-4-9)10-2-1-5-13-8-10/h9-11,13H,1-8H2
InChIKeyGAKDIYCELXGNPP-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.75
Rot. Bonds2

About 3-[fluoro(oxan-4-yl)methyl]piperidine

3-[fluoro(oxan-4-yl)methyl]piperidine (PubChem CID 112565356) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 3-[fluoro(oxan-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[fluoro(oxan-4-yl)methyl]piperidine
PubChem CID112565356
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name3-[fluoro(oxan-4-yl)methyl]piperidine
SMILESFC(C1CCOCC1)C1CCCNC1
InChIInChI=1S/C11H20FNO/c12-11(9-3-6-14-7-4-9)10-2-1-5-13-8-10/h9-11,13H,1-8H2
InChIKeyGAKDIYCELXGNPP-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(oxan-4-yl)methyl]piperidine?
The IUPAC name of 3-[fluoro(oxan-4-yl)methyl]piperidine (CID 112565356) is 3-[fluoro(oxan-4-yl)methyl]piperidine.
What is the SMILES notation for 3-[fluoro(oxan-4-yl)methyl]piperidine?
The canonical SMILES for 3-[fluoro(oxan-4-yl)methyl]piperidine is FC(C1CCOCC1)C1CCCNC1.
What is the InChIKey of 3-[fluoro(oxan-4-yl)methyl]piperidine?
The InChIKey is GAKDIYCELXGNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c12-11(9-3-6-14-7-4-9)10-2-1-5-13-8-10/h9-11,13H,1-8H2.
What are the key properties of 3-[fluoro(oxan-4-yl)methyl]piperidine?
3-[fluoro(oxan-4-yl)methyl]piperidine has a molecular weight of 201.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(oxan-4-yl)methyl]piperidine is sourced from PubChem (CID 112565356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).