3-fluoro-3-(oxan-4-ylmethyl)piperidine

C11H20FNO — CID 112562818

IUPAC3-fluoro-3-(oxan-4-ylmethyl)piperidine
SMILESFC1(CC2CCOCC2)CCCNC1
InChIInChI=1S/C11H20FNO/c12-11(4-1-5-13-9-11)8-10-2-6-14-7-3-10/h10,13H,1-9H2
InChIKeyJRQUWMDRVMBFLF-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.89
Rot. Bonds2

About 3-fluoro-3-(oxan-4-ylmethyl)piperidine

3-fluoro-3-(oxan-4-ylmethyl)piperidine (PubChem CID 112562818) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 3-fluoro-3-(oxan-4-ylmethyl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(oxan-4-ylmethyl)piperidine
PubChem CID112562818
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name3-fluoro-3-(oxan-4-ylmethyl)piperidine
SMILESFC1(CC2CCOCC2)CCCNC1
InChIInChI=1S/C11H20FNO/c12-11(4-1-5-13-9-11)8-10-2-6-14-7-3-10/h10,13H,1-9H2
InChIKeyJRQUWMDRVMBFLF-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(oxan-4-ylmethyl)piperidine?
The IUPAC name of 3-fluoro-3-(oxan-4-ylmethyl)piperidine (CID 112562818) is 3-fluoro-3-(oxan-4-ylmethyl)piperidine.
What is the SMILES notation for 3-fluoro-3-(oxan-4-ylmethyl)piperidine?
The canonical SMILES for 3-fluoro-3-(oxan-4-ylmethyl)piperidine is FC1(CC2CCOCC2)CCCNC1.
What is the InChIKey of 3-fluoro-3-(oxan-4-ylmethyl)piperidine?
The InChIKey is JRQUWMDRVMBFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c12-11(4-1-5-13-9-11)8-10-2-6-14-7-3-10/h10,13H,1-9H2.
What are the key properties of 3-fluoro-3-(oxan-4-ylmethyl)piperidine?
3-fluoro-3-(oxan-4-ylmethyl)piperidine has a molecular weight of 201.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxan-4-ylmethyl)piperidine is sourced from PubChem (CID 112562818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).