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

C10H18FNO2 — CID 80695605

IUPAC3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCF)CC1
InChIInChI=1S/C10H18FNO2/c11-5-8-12-6-3-9(4-7-12)1-2-10(13)14/h9H,1-8H2,(H,13,14)
InChIKeyNIFWOIYNYFWEIM-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.53
Rot. Bonds5

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

3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid (PubChem CID 80695605) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid
PubChem CID80695605
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCF)CC1
InChIInChI=1S/C10H18FNO2/c11-5-8-12-6-3-9(4-7-12)1-2-10(13)14/h9H,1-8H2,(H,13,14)
InChIKeyNIFWOIYNYFWEIM-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid (CID 80695605) is 3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(CCF)CC1.
What is the InChIKey of 3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid?
The InChIKey is NIFWOIYNYFWEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c11-5-8-12-6-3-9(4-7-12)1-2-10(13)14/h9H,1-8H2,(H,13,14).
What are the key properties of 3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid?
3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid has a molecular weight of 203.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoroethyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 80695605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).