1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile

C17H19N5O2 — CID 155975141

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile
SMILESCOc1nc(OC)nc(N2CCC(C#N)(c3ccccc3)CC2)n1
InChIInChI=1S/C17H19N5O2/c1-23-15-19-14(20-16(21-15)24-2)22-10-8-17(12-18,9-11-22)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
InChIKeySGUJQDSRDDXLNE-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.95
Rot. Bonds4

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 155975141) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile
PubChem CID155975141
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile
SMILESCOc1nc(OC)nc(N2CCC(C#N)(c3ccccc3)CC2)n1
InChIInChI=1S/C17H19N5O2/c1-23-15-19-14(20-16(21-15)24-2)22-10-8-17(12-18,9-11-22)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
InChIKeySGUJQDSRDDXLNE-UHFFFAOYSA-N
XLogP1.95
TPSA84.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile
CID 134713638
1-[4-(dimethylamino)pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile
CID 175651313
CID 163665844
CID 163665844
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile
CID 72893361
1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 68708591
1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 50978711
1-(4-methylphthalazin-1-yl)-4-phenylpiperidine-4-carbonitrile
CID 155980885
1-(8,9-dimethoxy-2-methyl-2-oxo-2λ6-thia-3,5-diazabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaen-4-yl)-4-phenylpiperidine-4-carbonitrile;hydrochloride
CID 12694303
1-methylsulfonyl-4-phenylpiperidine-4-carbonitrile
CID 110711565
1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile
CID 11242964
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile
CID 155975549
1-(3,5-dichloro-2-pyridinyl)-4-phenylpiperidine-4-carbonitrile
CID 155975178

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile (CID 155975141) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile is COc1nc(OC)nc(N2CCC(C#N)(c3ccccc3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is SGUJQDSRDDXLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-15-19-14(20-16(21-15)24-2)22-10-8-17(12-18,9-11-22)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3.
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 325.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 155975141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).