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

C7H11F3N2O — CID 45080916

IUPAC1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESNC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6(13)12-3-1-5(11)2-4-12/h5H,1-4,11H2
InChIKeyIMIRFQOBCRHHFT-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.50
Rot. Bonds

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

1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 45080916) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID45080916
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESNC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6(13)12-3-1-5(11)2-4-12/h5H,1-4,11H2
InChIKeyIMIRFQOBCRHHFT-UHFFFAOYSA-N
XLogP0.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone (CID 45080916) is 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone is NC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is IMIRFQOBCRHHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)6(13)12-3-1-5(11)2-4-12/h5H,1-4,11H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 196.17 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 45080916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).