2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile

C20H24N4O — CID 133396442

IUPAC2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCN(CCOc3ccccc3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C20H24N4O/c1-16-14-20(19(15-21)17(2)22-16)24-10-8-23(9-11-24)12-13-25-18-6-4-3-5-7-18/h3-7,14H,8-13H2,1-2H3
InChIKeyHBRSAPUHWMCJLD-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.77
Rot. Bonds5

About 2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile

2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 133396442) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID133396442
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(N2CCN(CCOc3ccccc3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C20H24N4O/c1-16-14-20(19(15-21)17(2)22-16)24-10-8-23(9-11-24)12-13-25-18-6-4-3-5-7-18/h3-7,14H,8-13H2,1-2H3
InChIKeyHBRSAPUHWMCJLD-UHFFFAOYSA-N
XLogP2.77
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine
CID 12962125
4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 81042005
3-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]propanoic acid
CID 81049314
2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide
CID 133396605
2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile
CID 9025171
2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
CID 81060173
4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396407
4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133391095
4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396512
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
2,6-dimethyl-4-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 91645884
3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
CID 43288798

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 133396442) is 2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc(N2CCN(CCOc3ccccc3)CC2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is HBRSAPUHWMCJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16-14-20(19(15-21)17(2)22-16)24-10-8-23(9-11-24)12-13-25-18-6-4-3-5-7-18/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile?
2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133396442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).