5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile

C11H14N4O — CID 104918116

IUPAC5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC1CCN(c2cnc(C#N)cn2)CC1O
InChIInChI=1S/C11H14N4O/c1-8-2-3-15(7-10(8)16)11-6-13-9(4-12)5-14-11/h5-6,8,10,16H,2-3,7H2,1H3
InChIKeyOOXSEOAZXRGNHZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.56
Rot. Bonds1

About 5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile

5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 104918116) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID104918116
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC1CCN(c2cnc(C#N)cn2)CC1O
InChIInChI=1S/C11H14N4O/c1-8-2-3-15(7-10(8)16)11-6-13-9(4-12)5-14-11/h5-6,8,10,16H,2-3,7H2,1H3
InChIKeyOOXSEOAZXRGNHZ-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile (CID 104918116) is 5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile is CC1CCN(c2cnc(C#N)cn2)CC1O.
What is the InChIKey of 5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is OOXSEOAZXRGNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-2-3-15(7-10(8)16)11-6-13-9(4-12)5-14-11/h5-6,8,10,16H,2-3,7H2,1H3.
What are the key properties of 5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 104918116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).