2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine

C16H19ClN4 — CID 133404139

IUPAC2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine
SMILESCc1ccc(N2CCN(c3cncc(Cl)n3)CC2)cc1C
InChIInChI=1S/C16H19ClN4/c1-12-3-4-14(9-13(12)2)20-5-7-21(8-6-20)16-11-18-10-15(17)19-16/h3-4,9-11H,5-8H2,1-2H3
InChIKeyIRCMLDSBRYKYOT-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.07
Rot. Bonds2

About 2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine

2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine (PubChem CID 133404139) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine
PubChem CID133404139
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine
SMILESCc1ccc(N2CCN(c3cncc(Cl)n3)CC2)cc1C
InChIInChI=1S/C16H19ClN4/c1-12-3-4-14(9-13(12)2)20-5-7-21(8-6-20)16-11-18-10-15(17)19-16/h3-4,9-11H,5-8H2,1-2H3
InChIKeyIRCMLDSBRYKYOT-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 61362795
2-chloro-6-[4-[1-(3-chloro-4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]pyrazine
CID 25013817
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
2-chloro-6-[4-(2-methylbut-3-yn-2-yl)piperazin-1-yl]pyrazine
CID 136573611
2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 59598902
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
1-tert-butyl-4-(6-chloropyrazin-2-yl)-1,4-diazepane
CID 56805156
2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)pyrazine
CID 79035105
1-(6-chloropyrazin-2-yl)azepan-4-ol
CID 130702579
(3R)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 86323671
5-[1-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 133281442
tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine
CID 87578550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine (CID 133404139) is 2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine is Cc1ccc(N2CCN(c3cncc(Cl)n3)CC2)cc1C.
What is the InChIKey of 2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine?
The InChIKey is IRCMLDSBRYKYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-3-4-14(9-13(12)2)20-5-7-21(8-6-20)16-11-18-10-15(17)19-16/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine?
2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine has a molecular weight of 302.81 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(3,4-dimethylphenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 133404139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).