2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine

C15H22F3N5 — CID 166357290

IUPAC2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine
SMILESCN1CCN(C2CCCN(c3nccnc3C(F)(F)F)C2)CC1
InChIInChI=1S/C15H22F3N5/c1-21-7-9-22(10-8-21)12-3-2-6-23(11-12)14-13(15(16,17)18)19-4-5-20-14/h4-5,12H,2-3,6-11H2,1H3
InChIKeyCXYWIQTUCITXMJ-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.71
Rot. Bonds2

About 2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine

2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine (PubChem CID 166357290) has the molecular formula C15H22F3N5 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine
PubChem CID166357290
Molecular FormulaC15H22F3N5
Molecular Weight329.37 g/mol
Exact Mass329.18
IUPAC Name2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine
SMILESCN1CCN(C2CCCN(c3nccnc3C(F)(F)F)C2)CC1
InChIInChI=1S/C15H22F3N5/c1-21-7-9-22(10-8-21)12-3-2-6-23(11-12)14-13(15(16,17)18)19-4-5-20-14/h4-5,12H,2-3,6-11H2,1H3
InChIKeyCXYWIQTUCITXMJ-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Modaline
CID 17860
Pyrazine, 2-methyl-3-piperidino-, monohydrochloride
CID 83550
N,N-diethyl-2-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 49778905
3-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-N,N-diethyl-1-propanamine
CID 29188695
N,N-dimethyl-N'-[5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164682790
N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164683015
N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
CID 164683151
N,N-dimethyl-N'-[6-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164683152
2-Methyl-6-piperidin-1-ylpyrazine
CID 68348554
2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
CID 125143380
3-[[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyrazine-2-carbonitrile
CID 164640687
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine
CID 20290696

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine (CID 166357290) is 2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine is CN1CCN(C2CCCN(c3nccnc3C(F)(F)F)C2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine?
The InChIKey is CXYWIQTUCITXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5/c1-21-7-9-22(10-8-21)12-3-2-6-23(11-12)14-13(15(16,17)18)19-4-5-20-14/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of 2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine?
2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine has a molecular weight of 329.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)pyrazine is sourced from PubChem (CID 166357290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).