2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid

C16H23FN2O2 — CID 83198416

IUPAC2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(c1ccc(F)cn1)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C16H23FN2O2/c1-11(14-7-6-13(17)9-18-14)19-8-4-5-12(10-19)16(2,3)15(20)21/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,21)
InChIKeyJXZPHPSNJZMKGC-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.10
Rot. Bonds4

About 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid

2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83198416) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83198416
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(c1ccc(F)cn1)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C16H23FN2O2/c1-11(14-7-6-13(17)9-18-14)19-8-4-5-12(10-19)16(2,3)15(20)21/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,21)
InChIKeyJXZPHPSNJZMKGC-UHFFFAOYSA-N
XLogP3.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid (CID 83198416) is 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid is CC(c1ccc(F)cn1)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is JXZPHPSNJZMKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(14-7-6-13(17)9-18-14)19-8-4-5-12(10-19)16(2,3)15(20)21/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid?
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 294.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83198416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).