2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine

C17H21ClN4O2 — CID 22036410

IUPAC2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine
SMILESCC1CN(c2nccnc2OCCOc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C17H21ClN4O2/c1-13-12-22(9-8-19-13)16-17(21-7-6-20-16)24-11-10-23-15-4-2-14(18)3-5-15/h2-7,13,19H,8-12H2,1H3
InChIKeyPXQFDJGIIQWGCR-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.39
Rot. Bonds6

About 2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine

2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine (PubChem CID 22036410) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine
PubChem CID22036410
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine
SMILESCC1CN(c2nccnc2OCCOc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C17H21ClN4O2/c1-13-12-22(9-8-19-13)16-17(21-7-6-20-16)24-11-10-23-15-4-2-14(18)3-5-15/h2-7,13,19H,8-12H2,1H3
InChIKeyPXQFDJGIIQWGCR-UHFFFAOYSA-N
XLogP2.39
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine (CID 22036410) is 2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine is CC1CN(c2nccnc2OCCOc2ccc(Cl)cc2)CCN1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine?
The InChIKey is PXQFDJGIIQWGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-13-12-22(9-8-19-13)16-17(21-7-6-20-16)24-11-10-23-15-4-2-14(18)3-5-15/h2-7,13,19H,8-12H2,1H3.
What are the key properties of 2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine?
2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine has a molecular weight of 348.83 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethoxy]-3-(3-methylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 22036410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).