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

C11H14N4O — CID 60620152

IUPAC3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCC(CO)C1
InChIInChI=1S/C11H14N4O/c12-6-10-11(14-4-3-13-10)15-5-1-2-9(7-15)8-16/h3-4,9,16H,1-2,5,7-8H2
InChIKeyKTQGOOLAGAEAMB-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.56
Rot. Bonds2

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

3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 60620152) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID60620152
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCC(CO)C1
InChIInChI=1S/C11H14N4O/c12-6-10-11(14-4-3-13-10)15-5-1-2-9(7-15)8-16/h3-4,9,16H,1-2,5,7-8H2
InChIKeyKTQGOOLAGAEAMB-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 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 60620152) is 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is KTQGOOLAGAEAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-6-10-11(14-4-3-13-10)15-5-1-2-9(7-15)8-16/h3-4,9,16H,1-2,5,7-8H2.
What are the key properties of 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
3-[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 3-[3-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 60620152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).