2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone

C14H18F6N2O2 — CID 123597757

IUPAC2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone
SMILESO=C(N1CCC(C2CCN(C(=O)C(F)(F)F)CC2)CC1)C(F)(F)F
InChIInChI=1S/C14H18F6N2O2/c15-13(16,17)11(23)21-5-1-9(2-6-21)10-3-7-22(8-4-10)12(24)14(18,19)20/h9-10H,1-8H2
InChIKeyLWUSAGIAAFVPIW-UHFFFAOYSA-N
MW360.30 g/mol
LogP2.59
Rot. Bonds1

About 2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 123597757) has the molecular formula C14H18F6N2O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone
PubChem CID123597757
Molecular FormulaC14H18F6N2O2
Molecular Weight360.30 g/mol
Exact Mass360.13
IUPAC Name2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone
SMILESO=C(N1CCC(C2CCN(C(=O)C(F)(F)F)CC2)CC1)C(F)(F)F
InChIInChI=1S/C14H18F6N2O2/c15-13(16,17)11(23)21-5-1-9(2-6-21)10-3-7-22(8-4-10)12(24)14(18,19)20/h9-10H,1-8H2
InChIKeyLWUSAGIAAFVPIW-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone (CID 123597757) is 2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone is O=C(N1CCC(C2CCN(C(=O)C(F)(F)F)CC2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is LWUSAGIAAFVPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F6N2O2/c15-13(16,17)11(23)21-5-1-9(2-6-21)10-3-7-22(8-4-10)12(24)14(18,19)20/h9-10H,1-8H2.
What are the key properties of 2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 360.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 123597757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).