2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile

C12H16N4 — CID 167849231

IUPAC2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCCC1CN(c2ncccc2C#N)CCN1
InChIInChI=1S/C12H16N4/c1-2-11-9-16(7-6-14-11)12-10(8-13)4-3-5-15-12/h3-5,11,14H,2,6-7,9H2,1H3
InChIKeyRMHNNSBLSIQGQE-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.14
Rot. Bonds2

About 2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile

2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 167849231) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID167849231
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCCC1CN(c2ncccc2C#N)CCN1
InChIInChI=1S/C12H16N4/c1-2-11-9-16(7-6-14-11)12-10(8-13)4-3-5-15-12/h3-5,11,14H,2,6-7,9H2,1H3
InChIKeyRMHNNSBLSIQGQE-UHFFFAOYSA-N
XLogP1.14
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile (CID 167849231) is 2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile is CCC1CN(c2ncccc2C#N)CCN1.
What is the InChIKey of 2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is RMHNNSBLSIQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-11-9-16(7-6-14-11)12-10(8-13)4-3-5-15-12/h3-5,11,14H,2,6-7,9H2,1H3.
What are the key properties of 2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile?
2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 167849231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).