4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

C11H12F3N3O3 — CID 69378620

IUPAC4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)8-5-9(16-6-15-8)20-7-1-3-17(4-2-7)10(18)19/h5-7H,1-4H2,(H,18,19)
InChIKeyHWVHIPUHQNKKCL-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.02
Rot. Bonds2

About 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (PubChem CID 69378620) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
PubChem CID69378620
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)8-5-9(16-6-15-8)20-7-1-3-17(4-2-7)10(18)19/h5-7H,1-4H2,(H,18,19)
InChIKeyHWVHIPUHQNKKCL-UHFFFAOYSA-N
XLogP2.02
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (CID 69378620) is 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is HWVHIPUHQNKKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c12-11(13,14)8-5-9(16-6-15-8)20-7-1-3-17(4-2-7)10(18)19/h5-7H,1-4H2,(H,18,19).
What are the key properties of 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 291.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 69378620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).