N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline

C23H24F3N5 — CID 6482859

IUPACN,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline
SMILESCN(C)c1ccc(-c2cncc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1
InChIInChI=1S/C23H24F3N5/c1-29(2)19-8-6-17(7-9-19)21-15-27-16-22(28-21)31-12-10-30(11-13-31)20-5-3-4-18(14-20)23(24,25)26/h3-9,14-16H,10-13H2,1-2H3
InChIKeyRNSNSNMUHPKQIY-UHFFFAOYSA-N
MW427.47 g/mol
LogP4.55
Rot. Bonds4

About N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline

N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline (PubChem CID 6482859) has the molecular formula C23H24F3N5 and a molecular weight of 427.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline
PubChem CID6482859
Molecular FormulaC23H24F3N5
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC NameN,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline
SMILESCN(C)c1ccc(-c2cncc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1
InChIInChI=1S/C23H24F3N5/c1-29(2)19-8-6-17(7-9-19)21-15-27-16-22(28-21)31-12-10-30(11-13-31)20-5-3-4-18(14-20)23(24,25)26/h3-9,14-16H,10-13H2,1-2H3
InChIKeyRNSNSNMUHPKQIY-UHFFFAOYSA-N
XLogP4.55
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
CID 171334508
4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline
CID 6482838
2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine
CID 177153206
1-[4-(dimethylamino)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 71774827
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-4-ium-3-amine
CID 136901612
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride
CID 3060365
5-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 4299131
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline (CID 6482859) is N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline is CN(C)c1ccc(-c2cncc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline?
The InChIKey is RNSNSNMUHPKQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5/c1-29(2)19-8-6-17(7-9-19)21-15-27-16-22(28-21)31-12-10-30(11-13-31)20-5-3-4-18(14-20)23(24,25)26/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline?
N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline has a molecular weight of 427.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline is sourced from PubChem (CID 6482859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).