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

C11H20FNO2 — CID 81114596

IUPAC3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCCF)CC1
InChIInChI=1S/C11H20FNO2/c12-6-1-7-13-8-4-10(5-9-13)2-3-11(14)15/h10H,1-9H2,(H,14,15)
InChIKeyJNLDSABKSDYKBM-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.92
Rot. Bonds6

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

3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid (PubChem CID 81114596) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid
PubChem CID81114596
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCCF)CC1
InChIInChI=1S/C11H20FNO2/c12-6-1-7-13-8-4-10(5-9-13)2-3-11(14)15/h10H,1-9H2,(H,14,15)
InChIKeyJNLDSABKSDYKBM-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid (CID 81114596) is 3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(CCCF)CC1.
What is the InChIKey of 3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid?
The InChIKey is JNLDSABKSDYKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c12-6-1-7-13-8-4-10(5-9-13)2-3-11(14)15/h10H,1-9H2,(H,14,15).
What are the key properties of 3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid?
3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid has a molecular weight of 217.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoropropyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 81114596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).