1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile

C18H20N4 — CID 134713638

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile
SMILESCc1cc(C)nc(N2CCC(C#N)(c3ccccc3)CC2)n1
InChIInChI=1S/C18H20N4/c1-14-12-15(2)21-17(20-14)22-10-8-18(13-19,9-11-22)16-6-4-3-5-7-16/h3-7,12H,8-11H2,1-2H3
InChIKeyZGDPOTKJIOAXEP-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.16
Rot. Bonds2

About 1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile

1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 134713638) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile
PubChem CID134713638
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile
SMILESCc1cc(C)nc(N2CCC(C#N)(c3ccccc3)CC2)n1
InChIInChI=1S/C18H20N4/c1-14-12-15(2)21-17(20-14)22-10-8-18(13-19,9-11-22)16-6-4-3-5-7-16/h3-7,12H,8-11H2,1-2H3
InChIKeyZGDPOTKJIOAXEP-UHFFFAOYSA-N
XLogP3.16
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile
CID 72893361
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile
CID 155975141
1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 50978711
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile
CID 155975549
1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile
CID 175651313
1-(4-methylphthalazin-1-yl)-4-phenylpiperidine-4-carbonitrile
CID 155980885
CID 163665844
CID 163665844
1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile
CID 155975178
1-methylsulfonyl-4-phenylpiperidine-4-carbonitrile
CID 110711565
4-(2-aminoethoxy)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonitrile
CID 67979921
5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 163344797
1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile
CID 11242964

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile (CID 134713638) is 1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile is Cc1cc(C)nc(N2CCC(C#N)(c3ccccc3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is ZGDPOTKJIOAXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14-12-15(2)21-17(20-14)22-10-8-18(13-19,9-11-22)16-6-4-3-5-7-16/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile?
1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 292.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 134713638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).