2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile

C13H17N3 — CID 81041853

IUPAC2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(N2CCCCC2)c(C#N)c(C)n1
InChIInChI=1S/C13H17N3/c1-10-8-13(12(9-14)11(2)15-10)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3
InChIKeyWCZPETLUHAQJCW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.56
Rot. Bonds1

About 2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile

2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile (PubChem CID 81041853) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile
PubChem CID81041853
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(N2CCCCC2)c(C#N)c(C)n1
InChIInChI=1S/C13H17N3/c1-10-8-13(12(9-14)11(2)15-10)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3
InChIKeyWCZPETLUHAQJCW-UHFFFAOYSA-N
XLogP2.56
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile (CID 81041853) is 2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile is Cc1cc(N2CCCCC2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile?
The InChIKey is WCZPETLUHAQJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-8-13(12(9-14)11(2)15-10)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile?
2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 81041853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).