4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

C15H21N3O — CID 103823129

IUPAC4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCOCC1CCCN(c2cc(C)nc(C)c2C#N)C1
InChIInChI=1S/C15H21N3O/c1-11-7-15(14(8-16)12(2)17-11)18-6-4-5-13(9-18)10-19-3/h7,13H,4-6,9-10H2,1-3H3
InChIKeyVPIRKCBMUHJIDG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.43
Rot. Bonds3

About 4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 103823129) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID103823129
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCOCC1CCCN(c2cc(C)nc(C)c2C#N)C1
InChIInChI=1S/C15H21N3O/c1-11-7-15(14(8-16)12(2)17-11)18-6-4-5-13(9-18)10-19-3/h7,13H,4-6,9-10H2,1-3H3
InChIKeyVPIRKCBMUHJIDG-UHFFFAOYSA-N
XLogP2.43
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (CID 103823129) is 4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is COCC1CCCN(c2cc(C)nc(C)c2C#N)C1.
What is the InChIKey of 4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is VPIRKCBMUHJIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-7-15(14(8-16)12(2)17-11)18-6-4-5-13(9-18)10-19-3/h7,13H,4-6,9-10H2,1-3H3.
What are the key properties of 4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 103823129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).