2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine

C25H30N4O — CID 6482735

IUPAC2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine
SMILESCOc1ccccc1N1CCN(c2cncc(-c3ccc(C(C)(C)C)cc3)n2)CC1
InChIInChI=1S/C25H30N4O/c1-25(2,3)20-11-9-19(10-12-20)21-17-26-18-24(27-21)29-15-13-28(14-16-29)22-7-5-6-8-23(22)30-4/h5-12,17-18H,13-16H2,1-4H3
InChIKeyRBHICTRLKVYQEK-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.78
Rot. Bonds4

About 2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine

2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine (PubChem CID 6482735) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine
PubChem CID6482735
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine
SMILESCOc1ccccc1N1CCN(c2cncc(-c3ccc(C(C)(C)C)cc3)n2)CC1
InChIInChI=1S/C25H30N4O/c1-25(2,3)20-11-9-19(10-12-20)21-17-26-18-24(27-21)29-15-13-28(14-16-29)22-7-5-6-8-23(22)30-4/h5-12,17-18H,13-16H2,1-4H3
InChIKeyRBHICTRLKVYQEK-UHFFFAOYSA-N
XLogP4.78
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine (CID 6482735) is 2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine is COc1ccccc1N1CCN(c2cncc(-c3ccc(C(C)(C)C)cc3)n2)CC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine?
The InChIKey is RBHICTRLKVYQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-25(2,3)20-11-9-19(10-12-20)21-17-26-18-24(27-21)29-15-13-28(14-16-29)22-7-5-6-8-23(22)30-4/h5-12,17-18H,13-16H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine?
2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine has a molecular weight of 402.54 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 6482735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).