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

C12H14F3N3O2 — CID 64586820

IUPAC2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-4-5-16-11(17-9)18-6-2-1-3-8(18)7-10(19)20/h4-5,8H,1-3,6-7H2,(H,19,20)
InChIKeyRYVYDBUAACUBOX-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.33
Rot. Bonds3

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

2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid (PubChem CID 64586820) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid
PubChem CID64586820
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-4-5-16-11(17-9)18-6-2-1-3-8(18)7-10(19)20/h4-5,8H,1-3,6-7H2,(H,19,20)
InChIKeyRYVYDBUAACUBOX-UHFFFAOYSA-N
XLogP2.33
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid (CID 64586820) is 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid?
The InChIKey is RYVYDBUAACUBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)9-4-5-16-11(17-9)18-6-2-1-3-8(18)7-10(19)20/h4-5,8H,1-3,6-7H2,(H,19,20).
What are the key properties of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid?
2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid has a molecular weight of 289.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 64586820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).