6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile

C13H18N4O — CID 70754285

IUPAC6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESCN1CCN(c2cccc(C#N)n2)CC1CCO
InChIInChI=1S/C13H18N4O/c1-16-6-7-17(10-12(16)5-8-18)13-4-2-3-11(9-14)15-13/h2-4,12,18H,5-8,10H2,1H3
InChIKeyRNPMCEMJIDGNQB-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.46
Rot. Bonds3

About 6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile

6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 70754285) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile
PubChem CID70754285
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESCN1CCN(c2cccc(C#N)n2)CC1CCO
InChIInChI=1S/C13H18N4O/c1-16-6-7-17(10-12(16)5-8-18)13-4-2-3-11(9-14)15-13/h2-4,12,18H,5-8,10H2,1H3
InChIKeyRNPMCEMJIDGNQB-UHFFFAOYSA-N
XLogP0.46
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile (CID 70754285) is 6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile is CN1CCN(c2cccc(C#N)n2)CC1CCO.
What is the InChIKey of 6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is RNPMCEMJIDGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16-6-7-17(10-12(16)5-8-18)13-4-2-3-11(9-14)15-13/h2-4,12,18H,5-8,10H2,1H3.
What are the key properties of 6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile?
6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 70754285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).