6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile

C12H15N3 — CID 64589835

IUPAC6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CCCCN1c1cccc(C#N)n1
InChIInChI=1S/C12H15N3/c1-10-5-2-3-8-15(10)12-7-4-6-11(9-13)14-12/h4,6-7,10H,2-3,5,8H2,1H3
InChIKeyAFOMYFHNXWJXGZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.33
Rot. Bonds1

About 6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile

6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 64589835) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID64589835
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CCCCN1c1cccc(C#N)n1
InChIInChI=1S/C12H15N3/c1-10-5-2-3-8-15(10)12-7-4-6-11(9-13)14-12/h4,6-7,10H,2-3,5,8H2,1H3
InChIKeyAFOMYFHNXWJXGZ-UHFFFAOYSA-N
XLogP2.33
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile (CID 64589835) is 6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile is CC1CCCCN1c1cccc(C#N)n1.
What is the InChIKey of 6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is AFOMYFHNXWJXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-5-2-3-8-15(10)12-7-4-6-11(9-13)14-12/h4,6-7,10H,2-3,5,8H2,1H3.
What are the key properties of 6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile?
6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 64589835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).