3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid

C17H24FNO3 — CID 68964828

IUPAC3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCc1ccc(F)cc1OC1CCN(CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C17H24FNO3/c1-12-4-5-13(18)10-15(12)22-14-6-8-19(9-7-14)11-17(2,3)16(20)21/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,21)
InChIKeySUDWIFGDTZUPKS-UHFFFAOYSA-N
MW309.38 g/mol
LogP3.09
Rot. Bonds5

About 3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid

3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 68964828) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is 3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid
PubChem CID68964828
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCc1ccc(F)cc1OC1CCN(CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C17H24FNO3/c1-12-4-5-13(18)10-15(12)22-14-6-8-19(9-7-14)11-17(2,3)16(20)21/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,21)
InChIKeySUDWIFGDTZUPKS-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid (CID 68964828) is 3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid is Cc1ccc(F)cc1OC1CCN(CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is SUDWIFGDTZUPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-12-4-5-13(18)10-15(12)22-14-6-8-19(9-7-14)11-17(2,3)16(20)21/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,21).
What are the key properties of 3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid?
3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 309.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 68964828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).