5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile

C11H14N4O — CID 63659797

IUPAC5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCCC(CO)C2)cn1
InChIInChI=1S/C11H14N4O/c12-4-10-5-14-11(6-13-10)15-3-1-2-9(7-15)8-16/h5-6,9,16H,1-3,7-8H2
InChIKeySFQMDDBTHZQOLY-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.56
Rot. Bonds2

About 5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile

5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 63659797) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID63659797
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCCC(CO)C2)cn1
InChIInChI=1S/C11H14N4O/c12-4-10-5-14-11(6-13-10)15-3-1-2-9(7-15)8-16/h5-6,9,16H,1-3,7-8H2
InChIKeySFQMDDBTHZQOLY-UHFFFAOYSA-N
XLogP0.56
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 63659797) is 5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCCC(CO)C2)cn1.
What is the InChIKey of 5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is SFQMDDBTHZQOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-4-10-5-14-11(6-13-10)15-3-1-2-9(7-15)8-16/h5-6,9,16H,1-3,7-8H2.
What are the key properties of 5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 63659797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).