4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile

C12H16N4O — CID 62491107

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(CCO)CC2)ccn1
InChIInChI=1S/C12H16N4O/c13-10-11-9-12(1-2-14-11)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2
InChIKeyLIWBZYDHKDJVLU-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.07
Rot. Bonds3

About 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile

4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 62491107) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID62491107
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(CCO)CC2)ccn1
InChIInChI=1S/C12H16N4O/c13-10-11-9-12(1-2-14-11)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2
InChIKeyLIWBZYDHKDJVLU-UHFFFAOYSA-N
XLogP0.07
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-2-carbonitrile
CID 55205409
4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 47092348
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 171149738
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol
CID 171701811
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 62924964
4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
CID 154825612
4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile
CID 55211755
4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345546
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
3-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]benzonitrile
CID 171327434
3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid
CID 62924471

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile (CID 62491107) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CCN(CCO)CC2)ccn1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is LIWBZYDHKDJVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-10-11-9-12(1-2-14-11)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2.
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile?
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 62491107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).