3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid

C10H18FNO3 — CID 68967126

IUPAC3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(O)C(F)C1)C(=O)O
InChIInChI=1S/C10H18FNO3/c1-10(2,9(14)15)6-12-4-3-8(13)7(11)5-12/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyKWSOLEORLARXQE-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.50
Rot. Bonds3

About 3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid

3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 68967126) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID68967126
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC(O)C(F)C1)C(=O)O
InChIInChI=1S/C10H18FNO3/c1-10(2,9(14)15)6-12-4-3-8(13)7(11)5-12/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyKWSOLEORLARXQE-UHFFFAOYSA-N
XLogP0.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid (CID 68967126) is 3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CCC(O)C(F)C1)C(=O)O.
What is the InChIKey of 3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is KWSOLEORLARXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-10(2,9(14)15)6-12-4-3-8(13)7(11)5-12/h7-8,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid?
3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 219.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-hydroxypiperidin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 68967126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).