6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile

C12H15N3 — CID 115022328

IUPAC6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
SMILESCN1CCC(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C12H15N3/c1-15-6-4-11(5-7-15)12-3-2-10(8-13)9-14-12/h2-3,9,11H,4-7H2,1H3
InChIKeyPWXDBHZOOZPOAP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.76
Rot. Bonds1

About 6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile

6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile (PubChem CID 115022328) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
PubChem CID115022328
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
SMILESCN1CCC(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C12H15N3/c1-15-6-4-11(5-7-15)12-3-2-10(8-13)9-14-12/h2-3,9,11H,4-7H2,1H3
InChIKeyPWXDBHZOOZPOAP-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile (CID 115022328) is 6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile is CN1CCC(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
The InChIKey is PWXDBHZOOZPOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-15-6-4-11(5-7-15)12-3-2-10(8-13)9-14-12/h2-3,9,11H,4-7H2,1H3.
What are the key properties of 6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile?
6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 115022328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).