1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid

C9H15F3N2O3 — CID 156502965

IUPAC1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-6(10)9-4-2-7(8)3-5-9;3-2(4,5)1(6)7/h7H,2-5,8H2,1H3;(H,6,7)
InChIKeyIWXVKNOIWNESGI-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.59
Rot. Bonds

About 1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid

1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid (PubChem CID 156502965) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid
PubChem CID156502965
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-6(10)9-4-2-7(8)3-5-9;3-2(4,5)1(6)7/h7H,2-5,8H2,1H3;(H,6,7)
InChIKeyIWXVKNOIWNESGI-UHFFFAOYSA-N
XLogP0.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid (CID 156502965) is 1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCC(N)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is IWXVKNOIWNESGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2HF3O2/c1-6(10)9-4-2-7(8)3-5-9;3-2(4,5)1(6)7/h7H,2-5,8H2,1H3;(H,6,7).
What are the key properties of 1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid?
1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 256.22 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 156502965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).