3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile

C12H16N4O — CID 55104888

IUPAC3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OCCN1CCCCC1
InChIInChI=1S/C12H16N4O/c13-10-11-12(15-5-4-14-11)17-9-8-16-6-2-1-3-7-16/h4-5H,1-3,6-9H2
InChIKeyKPUASZTVCJECQC-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.21
Rot. Bonds4

About 3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile

3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile (PubChem CID 55104888) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile
PubChem CID55104888
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OCCN1CCCCC1
InChIInChI=1S/C12H16N4O/c13-10-11-12(15-5-4-14-11)17-9-8-16-6-2-1-3-7-16/h4-5H,1-3,6-9H2
InChIKeyKPUASZTVCJECQC-UHFFFAOYSA-N
XLogP1.21
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile (CID 55104888) is 3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile is N#Cc1nccnc1OCCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile?
The InChIKey is KPUASZTVCJECQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-10-11-12(15-5-4-14-11)17-9-8-16-6-2-1-3-7-16/h4-5H,1-3,6-9H2.
What are the key properties of 3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile?
3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 55104888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).