6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile

C12H15N3O — CID 102954442

IUPAC6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile
SMILESCC1CCNCC1Oc1cccc(C#N)n1
InChIInChI=1S/C12H15N3O/c1-9-5-6-14-8-11(9)16-12-4-2-3-10(7-13)15-12/h2-4,9,11,14H,5-6,8H2,1H3
InChIKeyZWSUHDHOUVYUBN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.33
Rot. Bonds2

About 6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile

6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile (PubChem CID 102954442) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile
PubChem CID102954442
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile
SMILESCC1CCNCC1Oc1cccc(C#N)n1
InChIInChI=1S/C12H15N3O/c1-9-5-6-14-8-11(9)16-12-4-2-3-10(7-13)15-12/h2-4,9,11,14H,5-6,8H2,1H3
InChIKeyZWSUHDHOUVYUBN-UHFFFAOYSA-N
XLogP1.33
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile?
The IUPAC name of 6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile (CID 102954442) is 6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile?
The canonical SMILES for 6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile is CC1CCNCC1Oc1cccc(C#N)n1.
What is the InChIKey of 6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile?
The InChIKey is ZWSUHDHOUVYUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-5-6-14-8-11(9)16-12-4-2-3-10(7-13)15-12/h2-4,9,11,14H,5-6,8H2,1H3.
What are the key properties of 6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile?
6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-3-yl)oxypyridine-2-carbonitrile is sourced from PubChem (CID 102954442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).