3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile

C11H14N4O — CID 115871352

IUPAC3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC1(O)CCCN(c2nccnc2C#N)C1
InChIInChI=1S/C11H14N4O/c1-11(16)3-2-6-15(8-11)10-9(7-12)13-4-5-14-10/h4-5,16H,2-3,6,8H2,1H3
InChIKeyQJYQVHOCIULXMZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.70
Rot. Bonds1

About 3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile

3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 115871352) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID115871352
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC1(O)CCCN(c2nccnc2C#N)C1
InChIInChI=1S/C11H14N4O/c1-11(16)3-2-6-15(8-11)10-9(7-12)13-4-5-14-10/h4-5,16H,2-3,6,8H2,1H3
InChIKeyQJYQVHOCIULXMZ-UHFFFAOYSA-N
XLogP0.70
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile (CID 115871352) is 3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile is CC1(O)CCCN(c2nccnc2C#N)C1.
What is the InChIKey of 3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is QJYQVHOCIULXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-11(16)3-2-6-15(8-11)10-9(7-12)13-4-5-14-10/h4-5,16H,2-3,6,8H2,1H3.
What are the key properties of 3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 115871352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).