1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one

C9H15F3N2O — CID 102978512

IUPAC1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one
SMILESN[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1
InChIKeyGPYQCFFYXYYNET-SSDOTTSWSA-N
MW224.23 g/mol
LogP1.28
Rot. Bonds2

About 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one

1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one (PubChem CID 102978512) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one
PubChem CID102978512
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one
SMILESN[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1
InChIKeyGPYQCFFYXYYNET-SSDOTTSWSA-N
XLogP1.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one (CID 102978512) is 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one is N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1.
What is the InChIKey of 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one?
The InChIKey is GPYQCFFYXYYNET-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one?
1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one has a molecular weight of 224.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 102978512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).