4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline

C22H24FN5 — CID 6482838

IUPAC4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cncc(N3CCN(c4ccccc4F)CC3)n2)cc1
InChIInChI=1S/C22H24FN5/c1-26(2)18-9-7-17(8-10-18)20-15-24-16-22(25-20)28-13-11-27(12-14-28)21-6-4-3-5-19(21)23/h3-10,15-16H,11-14H2,1-2H3
InChIKeyWZIBJVMKYUOQBY-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.68
Rot. Bonds4

About 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline

4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline (PubChem CID 6482838) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline
PubChem CID6482838
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC Name4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cncc(N3CCN(c4ccccc4F)CC3)n2)cc1
InChIInChI=1S/C22H24FN5/c1-26(2)18-9-7-17(8-10-18)20-15-24-16-22(25-20)28-13-11-27(12-14-28)21-6-4-3-5-19(21)23/h3-10,15-16H,11-14H2,1-2H3
InChIKeyWZIBJVMKYUOQBY-UHFFFAOYSA-N
XLogP3.68
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline
CID 6482859
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrazin-2-amine
CID 80775737
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine
CID 112957592
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylpyridin-4-amine
CID 83269671
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71840289
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline
CID 4110916
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174480
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353024

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline (CID 6482838) is 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cncc(N3CCN(c4ccccc4F)CC3)n2)cc1.
What is the InChIKey of 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline?
The InChIKey is WZIBJVMKYUOQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-26(2)18-9-7-17(8-10-18)20-15-24-16-22(25-20)28-13-11-27(12-14-28)21-6-4-3-5-19(21)23/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline?
4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline has a molecular weight of 377.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 6482838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).