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

C18H20N4O — CID 30633436

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C18H20N4O/c1-13-11-14(2)20-18(15(13)12-19)22-9-7-21(8-10-22)16-5-3-4-6-17(16)23/h3-6,11,23H,7-10H2,1-2H3
InChIKeyYOOZNMGSCGJXAY-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.60
Rot. Bonds2

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

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 30633436) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID30633436
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C18H20N4O/c1-13-11-14(2)20-18(15(13)12-19)22-9-7-21(8-10-22)16-5-3-4-6-17(16)23/h3-6,11,23H,7-10H2,1-2H3
InChIKeyYOOZNMGSCGJXAY-UHFFFAOYSA-N
XLogP2.60
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (CID 30633436) is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCN(c3ccccc3O)CC2)n1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is YOOZNMGSCGJXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-11-14(2)20-18(15(13)12-19)22-9-7-21(8-10-22)16-5-3-4-6-17(16)23/h3-6,11,23H,7-10H2,1-2H3.
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 308.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 30633436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).