4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

C14H20N4O — CID 81042005

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCN(CCO)CC2)c(C#N)c(C)n1
InChIInChI=1S/C14H20N4O/c1-11-9-14(13(10-15)12(2)16-11)18-5-3-17(4-6-18)7-8-19/h9,19H,3-8H2,1-2H3
InChIKeyXTOCQQYXBIUYBP-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.68
Rot. Bonds3

About 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81042005) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81042005
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCN(CCO)CC2)c(C#N)c(C)n1
InChIInChI=1S/C14H20N4O/c1-11-9-14(13(10-15)12(2)16-11)18-5-3-17(4-6-18)7-8-19/h9,19H,3-8H2,1-2H3
InChIKeyXTOCQQYXBIUYBP-UHFFFAOYSA-N
XLogP0.68
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (CID 81042005) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCN(CCO)CC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is XTOCQQYXBIUYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-9-14(13(10-15)12(2)16-11)18-5-3-17(4-6-18)7-8-19/h9,19H,3-8H2,1-2H3.
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 0.68, 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]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81042005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).