2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile

C14H19N3O — CID 114766899

IUPAC2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(OCCN2CCCCC2)n1
InChIInChI=1S/C14H19N3O/c1-12-9-13(11-15)10-14(16-12)18-8-7-17-5-3-2-4-6-17/h9-10H,2-8H2,1H3
InChIKeyRFXCBMAHSQNKOS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds4

About 2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile

2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile (PubChem CID 114766899) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile
PubChem CID114766899
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(OCCN2CCCCC2)n1
InChIInChI=1S/C14H19N3O/c1-12-9-13(11-15)10-14(16-12)18-8-7-17-5-3-2-4-6-17/h9-10H,2-8H2,1H3
InChIKeyRFXCBMAHSQNKOS-UHFFFAOYSA-N
XLogP2.13
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile (CID 114766899) is 2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile is Cc1cc(C#N)cc(OCCN2CCCCC2)n1.
What is the InChIKey of 2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile?
The InChIKey is RFXCBMAHSQNKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12-9-13(11-15)10-14(16-12)18-8-7-17-5-3-2-4-6-17/h9-10H,2-8H2,1H3.
What are the key properties of 2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile?
2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 114766899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).