2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine

C16H17F3N4 — CID 171334508

IUPAC2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
SMILESCc1cncc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C16H17F3N4/c1-12-10-20-11-15(21-12)23-7-5-22(6-8-23)14-4-2-3-13(9-14)16(17,18)19/h2-4,9-11H,5-8H2,1H3
InChIKeyOIYVTPMXAKWOPR-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.13
Rot. Bonds2

About 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine

2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine (PubChem CID 171334508) has the molecular formula C16H17F3N4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
PubChem CID171334508
Molecular FormulaC16H17F3N4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
SMILESCc1cncc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C16H17F3N4/c1-12-10-20-11-15(21-12)23-7-5-22(6-8-23)14-4-2-3-13(9-14)16(17,18)19/h2-4,9-11H,5-8H2,1H3
InChIKeyOIYVTPMXAKWOPR-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline
CID 6482859
1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride
CID 3060365
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
3-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308225
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145341902
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 173434640
4-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzoic acid
CID 42803255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine (CID 171334508) is 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine is Cc1cncc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine?
The InChIKey is OIYVTPMXAKWOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4/c1-12-10-20-11-15(21-12)23-7-5-22(6-8-23)14-4-2-3-13(9-14)16(17,18)19/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine?
2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine has a molecular weight of 322.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 171334508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).