3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid

C10H18FNO3 — CID 80695259

IUPAC3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CCF)CC1
InChIInChI=1S/C10H18FNO3/c11-4-7-12-5-1-9(2-6-12)15-8-3-10(13)14/h9H,1-8H2,(H,13,14)
InChIKeyXIZRZYDXQDLIKH-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.91
Rot. Bonds6

About 3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid

3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 80695259) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid
PubChem CID80695259
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CCF)CC1
InChIInChI=1S/C10H18FNO3/c11-4-7-12-5-1-9(2-6-12)15-8-3-10(13)14/h9H,1-8H2,(H,13,14)
InChIKeyXIZRZYDXQDLIKH-UHFFFAOYSA-N
XLogP0.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid (CID 80695259) is 3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(CCF)CC1.
What is the InChIKey of 3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is XIZRZYDXQDLIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c11-4-7-12-5-1-9(2-6-12)15-8-3-10(13)14/h9H,1-8H2,(H,13,14).
What are the key properties of 3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 219.26 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoroethyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 80695259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).