3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid

C9H15F3N2O2 — CID 83824790

IUPAC3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid
SMILESNC1CCCN(C(CC(=O)O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(4-8(15)16)14-3-1-2-6(13)5-14/h6-7H,1-5,13H2,(H,15,16)
InChIKeyKZDDJFWAAKOCFB-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.82
Rot. Bonds3

About 3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid

3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid (PubChem CID 83824790) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid
PubChem CID83824790
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid
SMILESNC1CCCN(C(CC(=O)O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7(4-8(15)16)14-3-1-2-6(13)5-14/h6-7H,1-5,13H2,(H,15,16)
InChIKeyKZDDJFWAAKOCFB-UHFFFAOYSA-N
XLogP0.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid (CID 83824790) is 3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid is NC1CCCN(C(CC(=O)O)C(F)(F)F)C1.
What is the InChIKey of 3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid?
The InChIKey is KZDDJFWAAKOCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)7(4-8(15)16)14-3-1-2-6(13)5-14/h6-7H,1-5,13H2,(H,15,16).
What are the key properties of 3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid?
3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid has a molecular weight of 240.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 83824790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).