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

C11H20FNO — CID 115022375

IUPAC4-fluoro-4-methyl-3-(oxan-3-yl)piperidine
SMILESCC1(F)CCNCC1C1CCCOC1
InChIInChI=1S/C11H20FNO/c1-11(12)4-5-13-7-10(11)9-3-2-6-14-8-9/h9-10,13H,2-8H2,1H3
InChIKeyFMEGYEVZKVYYNM-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.75
Rot. Bonds1

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

4-fluoro-4-methyl-3-(oxan-3-yl)piperidine (PubChem CID 115022375) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 4-fluoro-4-methyl-3-(oxan-3-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-methyl-3-(oxan-3-yl)piperidine
PubChem CID115022375
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name4-fluoro-4-methyl-3-(oxan-3-yl)piperidine
SMILESCC1(F)CCNCC1C1CCCOC1
InChIInChI=1S/C11H20FNO/c1-11(12)4-5-13-7-10(11)9-3-2-6-14-8-9/h9-10,13H,2-8H2,1H3
InChIKeyFMEGYEVZKVYYNM-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 4-fluoro-4-methyl-3-(oxan-3-yl)piperidine?
The IUPAC name of 4-fluoro-4-methyl-3-(oxan-3-yl)piperidine (CID 115022375) is 4-fluoro-4-methyl-3-(oxan-3-yl)piperidine.
What is the SMILES notation for 4-fluoro-4-methyl-3-(oxan-3-yl)piperidine?
The canonical SMILES for 4-fluoro-4-methyl-3-(oxan-3-yl)piperidine is CC1(F)CCNCC1C1CCCOC1.
What is the InChIKey of 4-fluoro-4-methyl-3-(oxan-3-yl)piperidine?
The InChIKey is FMEGYEVZKVYYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(12)4-5-13-7-10(11)9-3-2-6-14-8-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 4-fluoro-4-methyl-3-(oxan-3-yl)piperidine?
4-fluoro-4-methyl-3-(oxan-3-yl)piperidine has a molecular weight of 201.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-3-(oxan-3-yl)piperidine is sourced from PubChem (CID 115022375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).