2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine

C16H19N3O3 — CID 22036283

IUPAC2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine
SMILESc1ccc(OCCOc2nccnc2ON2CCCC2)cc1
InChIInChI=1S/C16H19N3O3/c1-2-6-14(7-3-1)20-12-13-21-15-16(18-9-8-17-15)22-19-10-4-5-11-19/h1-3,6-9H,4-5,10-13H2
InChIKeyZMWQKQNLYWDWDG-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.32
Rot. Bonds7

About 2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine

2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine (PubChem CID 22036283) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine
PubChem CID22036283
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine
SMILESc1ccc(OCCOc2nccnc2ON2CCCC2)cc1
InChIInChI=1S/C16H19N3O3/c1-2-6-14(7-3-1)20-12-13-21-15-16(18-9-8-17-15)22-19-10-4-5-11-19/h1-3,6-9H,4-5,10-13H2
InChIKeyZMWQKQNLYWDWDG-UHFFFAOYSA-N
XLogP2.32
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Phenoxypyrazine
CID 470937
2-(4-(2-(Pyrrolidin-1-yl)ethoxy)phenoxy)pyrazine
CID 49805055
2-(Pyrazin-2-yloxy)phenol
CID 60871254
4-[2-[6-[1-(2-Phenoxyethyl)pyrrolidin-3-yl]oxypyrazin-2-yl]oxyethyl]morpholine
CID 172433297
Ethyl 2-[3-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyrazin-2-yl]oxypyrrolidin-1-yl]acetate
CID 172434355
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethoxy)-6-[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]oxypyrazine
CID 172435994
2-[3-[6-(2,3-Dihydro-1,4-benzodioxin-3-ylmethoxy)pyrazin-2-yl]oxypyrrolidin-1-yl]acetamide
CID 172436679
2-[3-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyrazin-2-yl]oxypyrrolidin-1-yl]-N,N-diethylacetamide
CID 172437102
1-[2-[3-[1-(2-Phenoxyethyl)piperidin-4-yl]oxypyrazin-2-yl]oxyethyl]pyrrolidine-2,5-dione
CID 172437334
2-Methoxy-3-[1-(2-phenoxyethyl)piperidin-4-yl]oxypyrazine
CID 172438245
2-[1-(Cyclohexylmethyl)pyrrolidin-3-yl]oxy-6-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)pyrazine
CID 172438505
2-(2-Methoxyphenoxy)pyrazine
CID 123931290

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine?
The IUPAC name of 2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine (CID 22036283) is 2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine.
What is the SMILES notation for 2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine?
The canonical SMILES for 2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine is c1ccc(OCCOc2nccnc2ON2CCCC2)cc1.
What is the InChIKey of 2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine?
The InChIKey is ZMWQKQNLYWDWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-6-14(7-3-1)20-12-13-21-15-16(18-9-8-17-15)22-19-10-4-5-11-19/h1-3,6-9H,4-5,10-13H2.
What are the key properties of 2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine?
2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine has a molecular weight of 301.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-3-pyrrolidin-1-yloxypyrazine is sourced from PubChem (CID 22036283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).