2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane

C15H27F3N4 — CID 156749552

IUPAC2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane
SMILESCC.CC.C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@H](C)N1
InChIInChI=1S/C11H15F3N4.2C2H6/c1-7-5-18(6-8(2)17-7)10-4-15-9(3-16-10)11(12,13)14;2*1-2/h3-4,7-8,17H,5-6H2,1-2H3;2*1-2H3/t7-,8+;;
InChIKeyOXQZDLRFORZMQI-QFHMQQKOSA-N
MW320.40 g/mol
LogP3.73
Rot. Bonds1

About 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane

2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane (PubChem CID 156749552) has the molecular formula C15H27F3N4 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane.

Molecular Properties

Compound Name2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane
PubChem CID156749552
Molecular FormulaC15H27F3N4
Molecular Weight320.40 g/mol
Exact Mass320.22
IUPAC Name2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane
SMILESCC.CC.C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@H](C)N1
InChIInChI=1S/C11H15F3N4.2C2H6/c1-7-5-18(6-8(2)17-7)10-4-15-9(3-16-10)11(12,13)14;2*1-2/h3-4,7-8,17H,5-6H2,1-2H3;2*1-2H3/t7-,8+;;
InChIKeyOXQZDLRFORZMQI-QFHMQQKOSA-N
XLogP3.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-3-(piperazin-1-yl)pyrazine
CID 45099710
N,N-diethyl-2-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 49778905
2-Methyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674676
3-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
N,6-dimethylpyrazin-2-amine
CID 55286460
3-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-N,N-diethyl-1-propanamine
CID 29188695
3-(Propylamino)pyrazine-2,5-dicarbonitrile
CID 57396422
3-(4-Methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile
CID 57398119
3-(Ethylamino)pyrazine-2,5-dicarbonitrile
CID 57398215
3-(Butylamino)pyrazine-2,5-dicarbonitrile
CID 57398216
2-Methyl-3-(piperazin-1-yl)pyrazine hydrochloride
CID 71639307
3-[2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 71978663

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane?
The IUPAC name of 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane (CID 156749552) is 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane.
What is the SMILES notation for 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane?
The canonical SMILES for 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane is CC.CC.C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@H](C)N1.
What is the InChIKey of 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane?
The InChIKey is OXQZDLRFORZMQI-QFHMQQKOSA-N. The full InChI is InChI=1S/C11H15F3N4.2C2H6/c1-7-5-18(6-8(2)17-7)10-4-15-9(3-16-10)11(12,13)14;2*1-2/h3-4,7-8,17H,5-6H2,1-2H3;2*1-2H3/t7-,8+;;.
What are the key properties of 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane?
2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane has a molecular weight of 320.40 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine;ethane is sourced from PubChem (CID 156749552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).