4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile

C13H17N3 — CID 62936415

IUPAC4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CCCN(c2ccnc(C#N)c2)C1C
InChIInChI=1S/C13H17N3/c1-10-4-3-7-16(11(10)2)13-5-6-15-12(8-13)9-14/h5-6,8,10-11H,3-4,7H2,1-2H3
InChIKeyQAEUSOQWCLUWSL-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.58
Rot. Bonds1

About 4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile

4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 62936415) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID62936415
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CCCN(c2ccnc(C#N)c2)C1C
InChIInChI=1S/C13H17N3/c1-10-4-3-7-16(11(10)2)13-5-6-15-12(8-13)9-14/h5-6,8,10-11H,3-4,7H2,1-2H3
InChIKeyQAEUSOQWCLUWSL-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile (CID 62936415) is 4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile is CC1CCCN(c2ccnc(C#N)c2)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is QAEUSOQWCLUWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-3-7-16(11(10)2)13-5-6-15-12(8-13)9-14/h5-6,8,10-11H,3-4,7H2,1-2H3.
What are the key properties of 4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 62936415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).