[2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate

C16H15F3N2O4 — CID 66880729

IUPAC[2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESN#Cc1ccc(N2CCC(OC(=O)COC(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C16H15F3N2O4/c17-16(18,19)15(23)24-10-14(22)25-13-5-7-21(8-6-13)12-3-1-11(9-20)2-4-12/h1-4,13H,5-8,10H2
InChIKeyJSCFJDCLBJUQJR-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.18
Rot. Bonds4

About [2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate

[2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 66880729) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is [2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID66880729
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC Name[2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESN#Cc1ccc(N2CCC(OC(=O)COC(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C16H15F3N2O4/c17-16(18,19)15(23)24-10-14(22)25-13-5-7-21(8-6-13)12-3-1-11(9-20)2-4-12/h1-4,13H,5-8,10H2
InChIKeyJSCFJDCLBJUQJR-UHFFFAOYSA-N
XLogP2.18
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate (CID 66880729) is [2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate is N#Cc1ccc(N2CCC(OC(=O)COC(=O)C(F)(F)F)CC2)cc1.
What is the InChIKey of [2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is JSCFJDCLBJUQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c17-16(18,19)15(23)24-10-14(22)25-13-5-7-21(8-6-13)12-3-1-11(9-20)2-4-12/h1-4,13H,5-8,10H2.
What are the key properties of [2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 356.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 66880729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).