3-(3-fluoropiperidin-1-yl)propanoic acid

C8H14FNO2 — CID 115014449

IUPAC3-(3-fluoropiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCCC(F)C1
InChIInChI=1S/C8H14FNO2/c9-7-2-1-4-10(6-7)5-3-8(11)12/h7H,1-6H2,(H,11,12)
InChIKeyGIYQCJKKJSBJBL-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.89
Rot. Bonds3

About 3-(3-fluoropiperidin-1-yl)propanoic acid

3-(3-fluoropiperidin-1-yl)propanoic acid (PubChem CID 115014449) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 3-(3-fluoropiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-fluoropiperidin-1-yl)propanoic acid
PubChem CID115014449
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name3-(3-fluoropiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCCC(F)C1
InChIInChI=1S/C8H14FNO2/c9-7-2-1-4-10(6-7)5-3-8(11)12/h7H,1-6H2,(H,11,12)
InChIKeyGIYQCJKKJSBJBL-UHFFFAOYSA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(3-fluoropiperidin-1-yl)propanoic acid (CID 115014449) is 3-(3-fluoropiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-fluoropiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-fluoropiperidin-1-yl)propanoic acid is O=C(O)CCN1CCCC(F)C1.
What is the InChIKey of 3-(3-fluoropiperidin-1-yl)propanoic acid?
The InChIKey is GIYQCJKKJSBJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-7-2-1-4-10(6-7)5-3-8(11)12/h7H,1-6H2,(H,11,12).
What are the key properties of 3-(3-fluoropiperidin-1-yl)propanoic acid?
3-(3-fluoropiperidin-1-yl)propanoic acid has a molecular weight of 175.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropiperidin-1-yl)propanoic acid is sourced from PubChem (CID 115014449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).