2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol

C11H21F3N2O — CID 43753082

IUPAC2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol
SMILESNCCC(N1CCCCC1CCO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10(4-6-15)16-7-2-1-3-9(16)5-8-17/h9-10,17H,1-8,15H2
InChIKeyQUJKXEMAWNFELC-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds5

About 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol

2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol (PubChem CID 43753082) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol
PubChem CID43753082
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol
SMILESNCCC(N1CCCCC1CCO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)10(4-6-15)16-7-2-1-3-9(16)5-8-17/h9-10,17H,1-8,15H2
InChIKeyQUJKXEMAWNFELC-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol (CID 43753082) is 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol is NCCC(N1CCCCC1CCO)C(F)(F)F.
What is the InChIKey of 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol?
The InChIKey is QUJKXEMAWNFELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)10(4-6-15)16-7-2-1-3-9(16)5-8-17/h9-10,17H,1-8,15H2.
What are the key properties of 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol?
2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol has a molecular weight of 254.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 43753082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).