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

C10H17F2NO2 — CID 62217178

IUPAC3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CC(F)F)CC1
InChIInChI=1S/C10H17F2NO2/c11-9(12)7-13-5-3-8(4-6-13)1-2-10(14)15/h8-9H,1-7H2,(H,14,15)
InChIKeyKFAPADFBUHTHQS-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.83
Rot. Bonds5

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

3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid (PubChem CID 62217178) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid
PubChem CID62217178
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CC(F)F)CC1
InChIInChI=1S/C10H17F2NO2/c11-9(12)7-13-5-3-8(4-6-13)1-2-10(14)15/h8-9H,1-7H2,(H,14,15)
InChIKeyKFAPADFBUHTHQS-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid (CID 62217178) is 3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(CC(F)F)CC1.
What is the InChIKey of 3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid?
The InChIKey is KFAPADFBUHTHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-9(12)7-13-5-3-8(4-6-13)1-2-10(14)15/h8-9H,1-7H2,(H,14,15).
What are the key properties of 3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid?
3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid has a molecular weight of 221.25 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-difluoroethyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62217178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).