(4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate

C7H10F3NO3 — CID 141179847

IUPAC(4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(O)CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)6(13)14-11-3-1-5(12)2-4-11/h5,12H,1-4H2
InChIKeyKSYMONNPYQOVOU-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.46
Rot. Bonds1

About (4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate

(4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 141179847) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID141179847
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name(4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(O)CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)6(13)14-11-3-1-5(12)2-4-11/h5,12H,1-4H2
InChIKeyKSYMONNPYQOVOU-UHFFFAOYSA-N
XLogP0.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate (CID 141179847) is (4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate is O=C(ON1CCC(O)CC1)C(F)(F)F.
What is the InChIKey of (4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is KSYMONNPYQOVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c8-7(9,10)6(13)14-11-3-1-5(12)2-4-11/h5,12H,1-4H2.
What are the key properties of (4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate?
(4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 213.15 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 141179847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).