[1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate

C12H18F3NO3 — CID 67401738

IUPAC[1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate
SMILESCC(=O)OC(C(F)(F)F)C1(C)CCN(C(C)=O)CC1
InChIInChI=1S/C12H18F3NO3/c1-8(17)16-6-4-11(3,5-7-16)10(12(13,14)15)19-9(2)18/h10H,4-7H2,1-3H3
InChIKeyGWNCGVGHOZQAEG-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.13
Rot. Bonds2

About [1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate

[1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate (PubChem CID 67401738) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is [1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate.

Molecular Properties

Compound Name[1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate
PubChem CID67401738
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name[1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate
SMILESCC(=O)OC(C(F)(F)F)C1(C)CCN(C(C)=O)CC1
InChIInChI=1S/C12H18F3NO3/c1-8(17)16-6-4-11(3,5-7-16)10(12(13,14)15)19-9(2)18/h10H,4-7H2,1-3H3
InChIKeyGWNCGVGHOZQAEG-UHFFFAOYSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate?
The IUPAC name of [1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate (CID 67401738) is [1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate.
What is the SMILES notation for [1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate?
The canonical SMILES for [1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate is CC(=O)OC(C(F)(F)F)C1(C)CCN(C(C)=O)CC1.
What is the InChIKey of [1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate?
The InChIKey is GWNCGVGHOZQAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-8(17)16-6-4-11(3,5-7-16)10(12(13,14)15)19-9(2)18/h10H,4-7H2,1-3H3.
What are the key properties of [1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate?
[1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate has a molecular weight of 281.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-acetyl-4-methylpiperidin-4-yl)-2,2,2-trifluoroethyl] acetate is sourced from PubChem (CID 67401738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).