[(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate

C11H14F3N3O3 — CID 170306642

IUPAC[(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCn1cc(O[C@@H]2CCCN(OC(=O)C(F)(F)F)C2)cn1
InChIInChI=1S/C11H14F3N3O3/c1-16-6-9(5-15-16)19-8-3-2-4-17(7-8)20-10(18)11(12,13)14/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyDZWOHFVJQMKETP-MRVPVSSYSA-N
MW293.25 g/mol
LogP1.28
Rot. Bonds3

About [(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate

[(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 170306642) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is [(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID170306642
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name[(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCn1cc(O[C@@H]2CCCN(OC(=O)C(F)(F)F)C2)cn1
InChIInChI=1S/C11H14F3N3O3/c1-16-6-9(5-15-16)19-8-3-2-4-17(7-8)20-10(18)11(12,13)14/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyDZWOHFVJQMKETP-MRVPVSSYSA-N
XLogP1.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate (CID 170306642) is [(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate is Cn1cc(O[C@@H]2CCCN(OC(=O)C(F)(F)F)C2)cn1.
What is the InChIKey of [(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is DZWOHFVJQMKETP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-16-6-9(5-15-16)19-8-3-2-4-17(7-8)20-10(18)11(12,13)14/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of [(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate?
[(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 293.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 170306642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).