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

C12H21F3N4O — CID 62967007

IUPAC1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(F)(F)F)CC1)N1CCNCC1
InChIInChI=1S/C12H21F3N4O/c13-12(14,15)10-18-7-5-17(6-8-18)9-11(20)19-3-1-16-2-4-19/h16H,1-10H2
InChIKeyHVMQWVPBMROUQQ-UHFFFAOYSA-N
MW294.32 g/mol
LogP-0.40
Rot. Bonds3

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

1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 62967007) has the molecular formula C12H21F3N4O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID62967007
Molecular FormulaC12H21F3N4O
Molecular Weight294.32 g/mol
Exact Mass294.17
IUPAC Name1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(F)(F)F)CC1)N1CCNCC1
InChIInChI=1S/C12H21F3N4O/c13-12(14,15)10-18-7-5-17(6-8-18)9-11(20)19-3-1-16-2-4-19/h16H,1-10H2
InChIKeyHVMQWVPBMROUQQ-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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Related Compounds

1-(2,2,2-Trifluoroethyl)piperazin-2-one
CID 55252897
4-(2,2,2-Trifluoroethyl)piperazin-2-one
CID 67612876
2,2,2-Trifluoro-N-[2-(piperazin-1-yl)ethyl]acetamide
CID 20431442
Trifluoromethylpiperazinone
CID 129751759
Piperazinyldiketone
CID 13750373
2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62310213
4-(Trifluoromethyl)piperazin-2-one;hydrochloride
CID 70299298
4-(Trifluoromethyl)piperazin-2-one
CID 70299299
1-(2,2,2-Trifluoroethyl)piperazin-2-one hydrochloride
CID 126845298
4-(2,2-Difluoroethyl)piperazin-2-one
CID 130927881
1-(Trifluoromethyl)piperazin-2-one;hydrochloride
CID 142032310
2-Bromo-2,2-difluoro-1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperazine
CID 160752534

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 62967007) is 1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is O=C(CN1CCN(CC(F)(F)F)CC1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is HVMQWVPBMROUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O/c13-12(14,15)10-18-7-5-17(6-8-18)9-11(20)19-3-1-16-2-4-19/h16H,1-10H2.
What are the key properties of 1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
1-piperazin-1-yl-2-[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 1-piperazin-1-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62967007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).