2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile

C14H19N3O — CID 113343675

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCOCC1CCCN(c2nc(C)ccc2C#N)C1
InChIInChI=1S/C14H19N3O/c1-11-5-6-13(8-15)14(16-11)17-7-3-4-12(9-17)10-18-2/h5-6,12H,3-4,7,9-10H2,1-2H3
InChIKeyPGTCPZPAWMBOLJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.12
Rot. Bonds3

About 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile

2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 113343675) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID113343675
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCOCC1CCCN(c2nc(C)ccc2C#N)C1
InChIInChI=1S/C14H19N3O/c1-11-5-6-13(8-15)14(16-11)17-7-3-4-12(9-17)10-18-2/h5-6,12H,3-4,7,9-10H2,1-2H3
InChIKeyPGTCPZPAWMBOLJ-UHFFFAOYSA-N
XLogP2.12
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile (CID 113343675) is 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile is COCC1CCCN(c2nc(C)ccc2C#N)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is PGTCPZPAWMBOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-5-6-13(8-15)14(16-11)17-7-3-4-12(9-17)10-18-2/h5-6,12H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 113343675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).