3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol

C11H20F3NO — CID 114511146

IUPAC3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol
SMILESCCC1CN(CCCC(F)(F)F)CCC1O
InChIInChI=1S/C11H20F3NO/c1-2-9-8-15(7-4-10(9)16)6-3-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyAKWSTLXQBBWLFO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.42
Rot. Bonds4

About 3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol

3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol (PubChem CID 114511146) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol
PubChem CID114511146
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol
SMILESCCC1CN(CCCC(F)(F)F)CCC1O
InChIInChI=1S/C11H20F3NO/c1-2-9-8-15(7-4-10(9)16)6-3-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyAKWSTLXQBBWLFO-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol (CID 114511146) is 3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol is CCC1CN(CCCC(F)(F)F)CCC1O.
What is the InChIKey of 3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol?
The InChIKey is AKWSTLXQBBWLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-9-8-15(7-4-10(9)16)6-3-5-11(12,13)14/h9-10,16H,2-8H2,1H3.
What are the key properties of 3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol?
3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol has a molecular weight of 239.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ol is sourced from PubChem (CID 114511146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).