3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile

C12H15N3O — CID 114287934

IUPAC3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
SMILESCN1CCC(Oc2cnccc2C#N)CC1
InChIInChI=1S/C12H15N3O/c1-15-6-3-11(4-7-15)16-12-9-14-5-2-10(12)8-13/h2,5,9,11H,3-4,6-7H2,1H3
InChIKeyZOCBLBNWRCZJFA-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.43
Rot. Bonds2

About 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile

3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile (PubChem CID 114287934) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
PubChem CID114287934
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
SMILESCN1CCC(Oc2cnccc2C#N)CC1
InChIInChI=1S/C12H15N3O/c1-15-6-3-11(4-7-15)16-12-9-14-5-2-10(12)8-13/h2,5,9,11H,3-4,6-7H2,1H3
InChIKeyZOCBLBNWRCZJFA-UHFFFAOYSA-N
XLogP1.43
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile?
The IUPAC name of 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile (CID 114287934) is 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile is CN1CCC(Oc2cnccc2C#N)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile?
The InChIKey is ZOCBLBNWRCZJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-6-3-11(4-7-15)16-12-9-14-5-2-10(12)8-13/h2,5,9,11H,3-4,6-7H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile?
3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile is sourced from PubChem (CID 114287934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).