4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile

C13H18N4O — CID 926201

IUPAC4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N2CCNCC2)c1C#N
InChIInChI=1S/C13H18N4O/c1-10-7-11(9-18-2)12(8-14)13(16-10)17-5-3-15-4-6-17/h7,15H,3-6,9H2,1-2H3
InChIKeyRAKSZALPQHDYIC-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.82
Rot. Bonds3

About 4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile (PubChem CID 926201) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile
PubChem CID926201
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N2CCNCC2)c1C#N
InChIInChI=1S/C13H18N4O/c1-10-7-11(9-18-2)12(8-14)13(16-10)17-5-3-15-4-6-17/h7,15H,3-6,9H2,1-2H3
InChIKeyRAKSZALPQHDYIC-UHFFFAOYSA-N
XLogP0.82
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile (CID 926201) is 4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile is COCc1cc(C)nc(N2CCNCC2)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile?
The InChIKey is RAKSZALPQHDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-7-11(9-18-2)12(8-14)13(16-10)17-5-3-15-4-6-17/h7,15H,3-6,9H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-piperazin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 926201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).