2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine

C16H19ClN4O — CID 45485742

IUPAC2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine
SMILESClc1ccccc1CCOc1cncc(N2CCNCC2)n1
InChIInChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)5-10-22-16-12-19-11-15(20-16)21-8-6-18-7-9-21/h1-4,11-12,18H,5-10H2
InChIKeySJCOZNMAFPWOOQ-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.16
Rot. Bonds5

About 2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine

2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine (PubChem CID 45485742) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine
PubChem CID45485742
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine
SMILESClc1ccccc1CCOc1cncc(N2CCNCC2)n1
InChIInChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)5-10-22-16-12-19-11-15(20-16)21-8-6-18-7-9-21/h1-4,11-12,18H,5-10H2
InChIKeySJCOZNMAFPWOOQ-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine?
The IUPAC name of 2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine (CID 45485742) is 2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine is Clc1ccccc1CCOc1cncc(N2CCNCC2)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine?
The InChIKey is SJCOZNMAFPWOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-14-4-2-1-3-13(14)5-10-22-16-12-19-11-15(20-16)21-8-6-18-7-9-21/h1-4,11-12,18H,5-10H2.
What are the key properties of 2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine?
2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine has a molecular weight of 318.81 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethoxy]-6-piperazin-1-ylpyrazine is sourced from PubChem (CID 45485742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).