2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine

C17H21N3O — CID 95820925

IUPAC2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine
SMILESCOc1cccc(-c2cnc([C@@H]3CCCN(C)C3)cn2)c1
InChIInChI=1S/C17H21N3O/c1-20-8-4-6-14(12-20)17-11-18-16(10-19-17)13-5-3-7-15(9-13)21-2/h3,5,7,9-11,14H,4,6,8,12H2,1-2H3/t14-/m1/s1
InChIKeyVTXOTHKUBAMTHS-CQSZACIVSA-N
MW283.38 g/mol
LogP2.96
Rot. Bonds3

About 2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine

2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine (PubChem CID 95820925) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine
PubChem CID95820925
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine
SMILESCOc1cccc(-c2cnc([C@@H]3CCCN(C)C3)cn2)c1
InChIInChI=1S/C17H21N3O/c1-20-8-4-6-14(12-20)17-11-18-16(10-19-17)13-5-3-7-15(9-13)21-2/h3,5,7,9-11,14H,4,6,8,12H2,1-2H3/t14-/m1/s1
InChIKeyVTXOTHKUBAMTHS-CQSZACIVSA-N
XLogP2.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249259
2-(4-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249260
[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110249997
cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673
3-[2-(3-methoxyphenyl)imidazol-1-yl]-1-methylpiperidine
CID 154817064
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809539
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95810071
2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95820010
2-(2-methoxyphenyl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95808900
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451
[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56864623

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine (CID 95820925) is 2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine is COc1cccc(-c2cnc([C@@H]3CCCN(C)C3)cn2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine?
The InChIKey is VTXOTHKUBAMTHS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20-8-4-6-14(12-20)17-11-18-16(10-19-17)13-5-3-7-15(9-13)21-2/h3,5,7,9-11,14H,4,6,8,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine?
2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine has a molecular weight of 283.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-[(3R)-1-methylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 95820925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).