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

Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
CID 114237200
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane
CID 144625430
3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine
CID 106588358
6-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 125141410
ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate
CID 56882105
2-[3-(methoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310053
2-[3-(methoxymethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 64598310
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpyridine
CID 164927032
4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 103823129
pent-4-ynyl 1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 75375987

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).