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

C12H14F3N3O3 — CID 67365463

IUPAC2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1(O)CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)8-1-4-16-10(17-8)18-5-2-11(21,3-6-18)7-9(19)20/h1,4,21H,2-3,5-7H2,(H,19,20)
InChIKeyKYFZEPKYNDDONJ-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.30
Rot. Bonds3

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

2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid (PubChem CID 67365463) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid
PubChem CID67365463
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1(O)CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14F3N3O3/c13-12(14,15)8-1-4-16-10(17-8)18-5-2-11(21,3-6-18)7-9(19)20/h1,4,21H,2-3,5-7H2,(H,19,20)
InChIKeyKYFZEPKYNDDONJ-UHFFFAOYSA-N
XLogP1.30
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid (CID 67365463) is 2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid is O=C(O)CC1(O)CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid?
The InChIKey is KYFZEPKYNDDONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c13-12(14,15)8-1-4-16-10(17-8)18-5-2-11(21,3-6-18)7-9(19)20/h1,4,21H,2-3,5-7H2,(H,19,20).
What are the key properties of 2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid?
2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid has a molecular weight of 305.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 67365463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).