2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol

C11H21F3N2O — CID 43771150

IUPAC2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-9(7-17)15-10-3-5-16(6-4-10)8-11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyVOTFGKHASUQFKN-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds5

About 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol

2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol (PubChem CID 43771150) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol
PubChem CID43771150
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-9(7-17)15-10-3-5-16(6-4-10)8-11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyVOTFGKHASUQFKN-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol (CID 43771150) is 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol is CCC(CO)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol?
The InChIKey is VOTFGKHASUQFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-9(7-17)15-10-3-5-16(6-4-10)8-11(12,13)14/h9-10,15,17H,2-8H2,1H3.
What are the key properties of 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol?
2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 43771150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).