3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid

C10H17F3N2O3 — CID 66995400

IUPAC3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
SMILESNCCC(=O)N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c9-5-4-8(11)10-6-2-1-3-7-10;3-2(4,5)1(6)7/h1-7,9H2;(H,6,7)
InChIKeyHEZQYMNYVGSZRO-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.98
Rot. Bonds2

About 3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid

3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 66995400) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
PubChem CID66995400
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
SMILESNCCC(=O)N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c9-5-4-8(11)10-6-2-1-3-7-10;3-2(4,5)1(6)7/h1-7,9H2;(H,6,7)
InChIKeyHEZQYMNYVGSZRO-UHFFFAOYSA-N
XLogP0.98
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid (CID 66995400) is 3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid is NCCC(=O)N1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is HEZQYMNYVGSZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2HF3O2/c9-5-4-8(11)10-6-2-1-3-7-10;3-2(4,5)1(6)7/h1-7,9H2;(H,6,7).
What are the key properties of 3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66995400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).