1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol

C17H21N3O2 — CID 110022644

IUPAC1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(Oc3cnccn3)cc2)C1
InChIInChI=1S/C17H21N3O2/c1-13(21)15-6-9-20(12-15)11-14-2-4-16(5-3-14)22-17-10-18-7-8-19-17/h2-5,7-8,10,13,15,21H,6,9,11-12H2,1H3
InChIKeyJQGCXFWWCRIQKN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.47
Rot. Bonds5

About 1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol

1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110022644) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID110022644
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(Oc3cnccn3)cc2)C1
InChIInChI=1S/C17H21N3O2/c1-13(21)15-6-9-20(12-15)11-14-2-4-16(5-3-14)22-17-10-18-7-8-19-17/h2-5,7-8,10,13,15,21H,6,9,11-12H2,1H3
InChIKeyJQGCXFWWCRIQKN-UHFFFAOYSA-N
XLogP2.47
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol (CID 110022644) is 1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2ccc(Oc3cnccn3)cc2)C1.
What is the InChIKey of 1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is JQGCXFWWCRIQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(21)15-6-9-20(12-15)11-14-2-4-16(5-3-14)22-17-10-18-7-8-19-17/h2-5,7-8,10,13,15,21H,6,9,11-12H2,1H3.
What are the key properties of 1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 299.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110022644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).