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

C13H17N3O — CID 113235312

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOCC1CCCN(c2ncccc2C#N)C1
InChIInChI=1S/C13H17N3O/c1-17-10-11-4-3-7-16(9-11)13-12(8-14)5-2-6-15-13/h2,5-6,11H,3-4,7,9-10H2,1H3
InChIKeyXJEBAOPFVQYCJV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.82
Rot. Bonds3

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

2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 113235312) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID113235312
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOCC1CCCN(c2ncccc2C#N)C1
InChIInChI=1S/C13H17N3O/c1-17-10-11-4-3-7-16(9-11)13-12(8-14)5-2-6-15-13/h2,5-6,11H,3-4,7,9-10H2,1H3
InChIKeyXJEBAOPFVQYCJV-UHFFFAOYSA-N
XLogP1.82
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 171704830
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97063214
1-[[1-(3-cyano-2-pyridinyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56714395
3-[3-(methoxymethyl)piperidin-1-yl]pyridin-2-amine
CID 106585899
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide
CID 143229666
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133341927
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 113235312) is 2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile is COCC1CCCN(c2ncccc2C#N)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is XJEBAOPFVQYCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-10-11-4-3-7-16(9-11)13-12(8-14)5-2-6-15-13/h2,5-6,11H,3-4,7,9-10H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.82, 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]pyridine-3-carbonitrile is sourced from PubChem (CID 113235312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).