3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane

C13H25F2NO — CID 144507261

IUPAC3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane
SMILESCC.CC1CCN(C2CCOCC2)CC1(F)F
InChIInChI=1S/C11H19F2NO.C2H6/c1-9-2-5-14(8-11(9,12)13)10-3-6-15-7-4-10;1-2/h9-10H,2-8H2,1H3;1-2H3
InChIKeyGISUGHYSWPTWNT-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.17
Rot. Bonds1

About 3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane

3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane (PubChem CID 144507261) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane
PubChem CID144507261
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane
SMILESCC.CC1CCN(C2CCOCC2)CC1(F)F
InChIInChI=1S/C11H19F2NO.C2H6/c1-9-2-5-14(8-11(9,12)13)10-3-6-15-7-4-10;1-2/h9-10H,2-8H2,1H3;1-2H3
InChIKeyGISUGHYSWPTWNT-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane?
The IUPAC name of 3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane (CID 144507261) is 3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane.
What is the SMILES notation for 3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane?
The canonical SMILES for 3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane is CC.CC1CCN(C2CCOCC2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane?
The InChIKey is GISUGHYSWPTWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO.C2H6/c1-9-2-5-14(8-11(9,12)13)10-3-6-15-7-4-10;1-2/h9-10H,2-8H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane?
3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane has a molecular weight of 249.34 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane is sourced from PubChem (CID 144507261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).