3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine

C12H22FNO — CID 112564826

IUPAC3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine
SMILESCC(F)(C1CCOCC1)C1CCCNC1
InChIInChI=1S/C12H22FNO/c1-12(13,10-4-7-15-8-5-10)11-3-2-6-14-9-11/h10-11,14H,2-9H2,1H3
InChIKeyOYKMJBROUMILNR-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.14
Rot. Bonds2

About 3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine

3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine (PubChem CID 112564826) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine
PubChem CID112564826
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine
SMILESCC(F)(C1CCOCC1)C1CCCNC1
InChIInChI=1S/C12H22FNO/c1-12(13,10-4-7-15-8-5-10)11-3-2-6-14-9-11/h10-11,14H,2-9H2,1H3
InChIKeyOYKMJBROUMILNR-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine?
The IUPAC name of 3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine (CID 112564826) is 3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine.
What is the SMILES notation for 3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine?
The canonical SMILES for 3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine is CC(F)(C1CCOCC1)C1CCCNC1.
What is the InChIKey of 3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine?
The InChIKey is OYKMJBROUMILNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-12(13,10-4-7-15-8-5-10)11-3-2-6-14-9-11/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine?
3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine has a molecular weight of 215.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-1-(oxan-4-yl)ethyl]piperidine is sourced from PubChem (CID 112564826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).