2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

C13H25F3N2O — CID 83992430

IUPAC2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCC(C)N1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-3-10(2)18-7-11(4-5-19)6-12(8-18)17-9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeyKUROUBPULBZZIH-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds6

About 2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992430) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992430
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCC(C)N1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-3-10(2)18-7-11(4-5-19)6-12(8-18)17-9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeyKUROUBPULBZZIH-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992430) is 2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CCC(C)N1CC(CCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is KUROUBPULBZZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-10(2)18-7-11(4-5-19)6-12(8-18)17-9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3.
What are the key properties of 2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 282.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).