1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol

C15H23N3O2 — CID 133485381

IUPAC1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2cncc(OC3CCCCC3)n2)C1
InChIInChI=1S/C15H23N3O2/c1-15(19)7-8-18(11-15)13-9-16-10-14(17-13)20-12-5-3-2-4-6-12/h9-10,12,19H,2-8,11H2,1H3
InChIKeyITEQFJKDGLLGJF-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.15
Rot. Bonds3

About 1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol

1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol (PubChem CID 133485381) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol
PubChem CID133485381
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2cncc(OC3CCCCC3)n2)C1
InChIInChI=1S/C15H23N3O2/c1-15(19)7-8-18(11-15)13-9-16-10-14(17-13)20-12-5-3-2-4-6-12/h9-10,12,19H,2-8,11H2,1H3
InChIKeyITEQFJKDGLLGJF-UHFFFAOYSA-N
XLogP2.15
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol (CID 133485381) is 1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2cncc(OC3CCCCC3)n2)C1.
What is the InChIKey of 1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is ITEQFJKDGLLGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(19)7-8-18(11-15)13-9-16-10-14(17-13)20-12-5-3-2-4-6-12/h9-10,12,19H,2-8,11H2,1H3.
What are the key properties of 1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol?
1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 277.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexyloxypyrazin-2-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 133485381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).