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

C11H20FNO2 — CID 83197467

IUPAC2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(CCF)C1
InChIInChI=1S/C11H20FNO2/c1-11(2,10(14)15)9-4-3-6-13(8-9)7-5-12/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyRTWVZKRKVSHKNN-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.78
Rot. Bonds4

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

2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83197467) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83197467
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(CCF)C1
InChIInChI=1S/C11H20FNO2/c1-11(2,10(14)15)9-4-3-6-13(8-9)7-5-12/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyRTWVZKRKVSHKNN-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238
2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid
CID 112590712
2-methyl-2-[1-(4-methylsulfanylbutyl)piperidin-3-yl]propanoic acid
CID 103090497
2-[1-(4-cyanobutyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198148
2-methyl-2-[1-(2-propylsulfonylethyl)piperidin-3-yl]propanoic acid
CID 106727680
2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid
CID 83198145
2-[1-[(1-hydroxycyclohexyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198071
2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198082
3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
CID 121202511
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 114489126
2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid
CID 83197847
2-methyl-2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 83199001

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83197467) is 2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCCN(CCF)C1.
What is the InChIKey of 2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is RTWVZKRKVSHKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-11(2,10(14)15)9-4-3-6-13(8-9)7-5-12/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 217.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83197467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).