3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid

C11H18F3NO4 — CID 63901922

IUPAC3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO4/c12-11(13,14)9(16)7-15-4-1-8(2-5-15)19-6-3-10(17)18/h8-9,16H,1-7H2,(H,17,18)
InChIKeyCVOYJFDRVASXGU-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.87
Rot. Bonds6

About 3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid

3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63901922) has the molecular formula C11H18F3NO4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63901922
Molecular FormulaC11H18F3NO4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC Name3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO4/c12-11(13,14)9(16)7-15-4-1-8(2-5-15)19-6-3-10(17)18/h8-9,16H,1-7H2,(H,17,18)
InChIKeyCVOYJFDRVASXGU-UHFFFAOYSA-N
XLogP0.87
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid (CID 63901922) is 3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is CVOYJFDRVASXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4/c12-11(13,14)9(16)7-15-4-1-8(2-5-15)19-6-3-10(17)18/h8-9,16H,1-7H2,(H,17,18).
What are the key properties of 3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 285.26 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63901922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).