5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile

C13H17N3 — CID 79839099

IUPAC5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CC(C)CN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C13H17N3/c1-10-5-11(2)9-16(8-10)13-4-3-12(6-14)15-7-13/h3-4,7,10-11H,5,8-9H2,1-2H3
InChIKeyQNFSTKWWIWAKMN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.44
Rot. Bonds1

About 5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile

5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 79839099) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID79839099
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1CC(C)CN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C13H17N3/c1-10-5-11(2)9-16(8-10)13-4-3-12(6-14)15-7-13/h3-4,7,10-11H,5,8-9H2,1-2H3
InChIKeyQNFSTKWWIWAKMN-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile (CID 79839099) is 5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile is CC1CC(C)CN(c2ccc(C#N)nc2)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is QNFSTKWWIWAKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-5-11(2)9-16(8-10)13-4-3-12(6-14)15-7-13/h3-4,7,10-11H,5,8-9H2,1-2H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile?
5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 79839099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).