4-fluoro-4-methyl-1-(oxan-4-yl)piperidine

C11H20FNO — CID 145493424

IUPAC4-fluoro-4-methyl-1-(oxan-4-yl)piperidine
SMILESCC1(F)CCN(C2CCOCC2)CC1
InChIInChI=1S/C11H20FNO/c1-11(12)4-6-13(7-5-11)10-2-8-14-9-3-10/h10H,2-9H2,1H3
InChIKeyZQRFWRYEWJQTKB-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.99
Rot. Bonds1

About 4-fluoro-4-methyl-1-(oxan-4-yl)piperidine

4-fluoro-4-methyl-1-(oxan-4-yl)piperidine (PubChem CID 145493424) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-methyl-1-(oxan-4-yl)piperidine
PubChem CID145493424
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name4-fluoro-4-methyl-1-(oxan-4-yl)piperidine
SMILESCC1(F)CCN(C2CCOCC2)CC1
InChIInChI=1S/C11H20FNO/c1-11(12)4-6-13(7-5-11)10-2-8-14-9-3-10/h10H,2-9H2,1H3
InChIKeyZQRFWRYEWJQTKB-UHFFFAOYSA-N
XLogP1.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-1-(oxan-4-yl)piperidine?
The IUPAC name of 4-fluoro-4-methyl-1-(oxan-4-yl)piperidine (CID 145493424) is 4-fluoro-4-methyl-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 4-fluoro-4-methyl-1-(oxan-4-yl)piperidine?
The canonical SMILES for 4-fluoro-4-methyl-1-(oxan-4-yl)piperidine is CC1(F)CCN(C2CCOCC2)CC1.
What is the InChIKey of 4-fluoro-4-methyl-1-(oxan-4-yl)piperidine?
The InChIKey is ZQRFWRYEWJQTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(12)4-6-13(7-5-11)10-2-8-14-9-3-10/h10H,2-9H2,1H3.
What are the key properties of 4-fluoro-4-methyl-1-(oxan-4-yl)piperidine?
4-fluoro-4-methyl-1-(oxan-4-yl)piperidine has a molecular weight of 201.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 145493424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).