3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid

C11H16F3NO4 — CID 63871388

IUPAC3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-9(16)15-4-1-8(2-5-15)19-6-3-10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyBMEHZAXWOCEREA-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.42
Rot. Bonds5

About 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid

3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63871388) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63871388
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-9(16)15-4-1-8(2-5-15)19-6-3-10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyBMEHZAXWOCEREA-UHFFFAOYSA-N
XLogP1.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid (CID 63871388) is 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is BMEHZAXWOCEREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)7-9(16)15-4-1-8(2-5-15)19-6-3-10(17)18/h8H,1-7H2,(H,17,18).
What are the key properties of 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 283.25 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63871388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).