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

C11H20FNO3 — CID 81114365

IUPAC3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CCCF)CC1
InChIInChI=1S/C11H20FNO3/c12-5-1-6-13-7-2-10(3-8-13)16-9-4-11(14)15/h10H,1-9H2,(H,14,15)
InChIKeyMBDRPLBGODROQG-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.30
Rot. Bonds7

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

3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 81114365) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid
PubChem CID81114365
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CCCF)CC1
InChIInChI=1S/C11H20FNO3/c12-5-1-6-13-7-2-10(3-8-13)16-9-4-11(14)15/h10H,1-9H2,(H,14,15)
InChIKeyMBDRPLBGODROQG-UHFFFAOYSA-N
XLogP1.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid (CID 81114365) is 3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(CCCF)CC1.
What is the InChIKey of 3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is MBDRPLBGODROQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c12-5-1-6-13-7-2-10(3-8-13)16-9-4-11(14)15/h10H,1-9H2,(H,14,15).
What are the key properties of 3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 233.28 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoropropyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 81114365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).