2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

C19H22N4 — CID 2972281

IUPAC2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H22N4/c1-15-12-16(2)21-19(18(15)13-20)23-10-8-22(9-11-23)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3
InChIKeyULOBBDPUQZSUTI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 2972281) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID2972281
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H22N4/c1-15-12-16(2)21-19(18(15)13-20)23-10-8-22(9-11-23)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3
InChIKeyULOBBDPUQZSUTI-UHFFFAOYSA-N
XLogP2.89
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Blonanserin
CID 125564
N-Methylquipazine
CID 5013
ST001233
CID 610514
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
Nct-503
CID 118796328
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Isopropyl-piperazin-1-yl)-quinoline
CID 11393294
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 25129523

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 2972281) is 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ULOBBDPUQZSUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-15-12-16(2)21-19(18(15)13-20)23-10-8-22(9-11-23)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 306.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 2972281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).