2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid

C13H15F3N2O2 — CID 25248138

IUPAC2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-1-2-11(17-8-10)18-5-3-9(4-6-18)7-12(19)20/h1-2,8-9H,3-7H2,(H,19,20)
InChIKeyARIAIKAUNXUOSJ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.79
Rot. Bonds3

About 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid

2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid (PubChem CID 25248138) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid
PubChem CID25248138
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-1-2-11(17-8-10)18-5-3-9(4-6-18)7-12(19)20/h1-2,8-9H,3-7H2,(H,19,20)
InChIKeyARIAIKAUNXUOSJ-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid (CID 25248138) is 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid?
The InChIKey is ARIAIKAUNXUOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-1-2-11(17-8-10)18-5-3-9(4-6-18)7-12(19)20/h1-2,8-9H,3-7H2,(H,19,20).
What are the key properties of 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid?
2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid has a molecular weight of 288.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 25248138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).