2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C12H21F3N4O — CID 61259440

IUPAC2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCNCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N4O/c13-12(14,15)10-18-5-7-19(8-6-18)11(20)9-17-3-1-16-2-4-17/h16H,1-10H2
InChIKeyJYVDFHGNWJPTBD-UHFFFAOYSA-N
MW294.32 g/mol
LogP-0.40
Rot. Bonds3

About 2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 61259440) has the molecular formula C12H21F3N4O and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID61259440
Molecular FormulaC12H21F3N4O
Molecular Weight294.32 g/mol
Exact Mass294.17
IUPAC Name2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCNCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N4O/c13-12(14,15)10-18-5-7-19(8-6-18)11(20)9-17-3-1-16-2-4-17/h16H,1-10H2
InChIKeyJYVDFHGNWJPTBD-UHFFFAOYSA-N
XLogP-0.40
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 61259440) is 2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is O=C(CN1CCNCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is JYVDFHGNWJPTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O/c13-12(14,15)10-18-5-7-19(8-6-18)11(20)9-17-3-1-16-2-4-17/h16H,1-10H2.
What are the key properties of 2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 294.32 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 61259440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).