(4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate

C7H11F3N2O2 — CID 174895497

IUPAC(4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESNC1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)6(13)14-12-3-1-5(11)2-4-12/h5H,1-4,11H2
InChIKeyJILXGPXLTHNXFM-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.43
Rot. Bonds1

About (4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate

(4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 174895497) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID174895497
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name(4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESNC1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)6(13)14-12-3-1-5(11)2-4-12/h5H,1-4,11H2
InChIKeyJILXGPXLTHNXFM-UHFFFAOYSA-N
XLogP0.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate (CID 174895497) is (4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate is NC1CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is JILXGPXLTHNXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)6(13)14-12-3-1-5(11)2-4-12/h5H,1-4,11H2.
What are the key properties of (4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate?
(4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 212.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 174895497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).