2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine

C30H39N3O — CID 155193835

IUPAC2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine
SMILESCC(C)(C)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H39N3O/c1-29(2,3)24-11-7-22(8-12-24)27-28(23-9-13-25(14-10-23)30(4,5)6)33-26(19-32-27)34-20-21-15-17-31-18-16-21/h7-14,19,21,31H,15-18,20H2,1-6H3
InChIKeyYEVZILDZTUEBRX-UHFFFAOYSA-N
MW457.66 g/mol
LogP6.78
Rot. Bonds5

About 2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine

2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine (PubChem CID 155193835) has the molecular formula C30H39N3O and a molecular weight of 457.66 g/mol. Its IUPAC name is 2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine.

Molecular Properties

Compound Name2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine
PubChem CID155193835
Molecular FormulaC30H39N3O
Molecular Weight457.66 g/mol
Exact Mass457.31
IUPAC Name2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine
SMILESCC(C)(C)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H39N3O/c1-29(2,3)24-11-7-22(8-12-24)27-28(23-9-13-25(14-10-23)30(4,5)6)33-26(19-32-27)34-20-21-15-17-31-18-16-21/h7-14,19,21,31H,15-18,20H2,1-6H3
InChIKeyYEVZILDZTUEBRX-UHFFFAOYSA-N
XLogP6.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine?
The IUPAC name of 2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine (CID 155193835) is 2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine.
What is the SMILES notation for 2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine?
The canonical SMILES for 2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine is CC(C)(C)c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine?
The InChIKey is YEVZILDZTUEBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O/c1-29(2,3)24-11-7-22(8-12-24)27-28(23-9-13-25(14-10-23)30(4,5)6)33-26(19-32-27)34-20-21-15-17-31-18-16-21/h7-14,19,21,31H,15-18,20H2,1-6H3.
What are the key properties of 2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine?
2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine has a molecular weight of 457.66 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-tert-butylphenyl)-5-(piperidin-4-ylmethoxy)pyrazine is sourced from PubChem (CID 155193835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).