2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone

C12H19F3N2O — CID 90786126

IUPAC2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone
SMILESO=C(N1CCC(C2CCNCC2)CC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)11(18)17-7-3-10(4-8-17)9-1-5-16-6-2-9/h9-10,16H,1-8H2
InChIKeyAGYUQTXRDDLYKP-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.79
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone (PubChem CID 90786126) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone
PubChem CID90786126
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone
SMILESO=C(N1CCC(C2CCNCC2)CC1)C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)11(18)17-7-3-10(4-8-17)9-1-5-16-6-2-9/h9-10,16H,1-8H2
InChIKeyAGYUQTXRDDLYKP-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone (CID 90786126) is 2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone is O=C(N1CCC(C2CCNCC2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is AGYUQTXRDDLYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)11(18)17-7-3-10(4-8-17)9-1-5-16-6-2-9/h9-10,16H,1-8H2.
What are the key properties of 2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 264.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 90786126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).