2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine

C22H23N3O — CID 127025531

IUPAC2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine
SMILESc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H23N3O/c1-3-7-18(8-4-1)21-22(19-9-5-2-6-10-19)25-20(15-24-21)26-16-17-11-13-23-14-12-17/h1-10,15,17,23H,11-14,16H2
InChIKeyUBDCPYXLKYYRPE-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.19
Rot. Bonds5

About 2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine

2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine (PubChem CID 127025531) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine.

Molecular Properties

Compound Name2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine
PubChem CID127025531
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine
SMILESc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H23N3O/c1-3-7-18(8-4-1)21-22(19-9-5-2-6-10-19)25-20(15-24-21)26-16-17-11-13-23-14-12-17/h1-10,15,17,23H,11-14,16H2
InChIKeyUBDCPYXLKYYRPE-UHFFFAOYSA-N
XLogP4.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine?
The IUPAC name of 2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine (CID 127025531) is 2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine.
What is the SMILES notation for 2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine?
The canonical SMILES for 2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine is c1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine?
The InChIKey is UBDCPYXLKYYRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-7-18(8-4-1)21-22(19-9-5-2-6-10-19)25-20(15-24-21)26-16-17-11-13-23-14-12-17/h1-10,15,17,23H,11-14,16H2.
What are the key properties of 2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine?
2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine has a molecular weight of 345.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5-(piperidin-4-ylmethoxy)pyrazine is sourced from PubChem (CID 127025531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).