2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine

C18H23N3O — CID 163355049

IUPAC2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
SMILESCc1cccc(CN2CCCC(COc3cnccn3)C2)c1
InChIInChI=1S/C18H23N3O/c1-15-4-2-5-16(10-15)12-21-9-3-6-17(13-21)14-22-18-11-19-7-8-20-18/h2,4-5,7-8,10-11,17H,3,6,9,12-14H2,1H3
InChIKeyDQCZQNMBUVBQBD-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.08
Rot. Bonds5

About 2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine

2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine (PubChem CID 163355049) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
PubChem CID163355049
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
SMILESCc1cccc(CN2CCCC(COc3cnccn3)C2)c1
InChIInChI=1S/C18H23N3O/c1-15-4-2-5-16(10-15)12-21-9-3-6-17(13-21)14-22-18-11-19-7-8-20-18/h2,4-5,7-8,10-11,17H,3,6,9,12-14H2,1H3
InChIKeyDQCZQNMBUVBQBD-UHFFFAOYSA-N
XLogP3.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163356836
2-methyl-5-[[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 163354661
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154580959
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163355020
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878825
(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine
CID 95889064
5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163354137
2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163357417
2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645265

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine?
The IUPAC name of 2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine (CID 163355049) is 2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine.
What is the SMILES notation for 2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine?
The canonical SMILES for 2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine is Cc1cccc(CN2CCCC(COc3cnccn3)C2)c1.
What is the InChIKey of 2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine?
The InChIKey is DQCZQNMBUVBQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15-4-2-5-16(10-15)12-21-9-3-6-17(13-21)14-22-18-11-19-7-8-20-18/h2,4-5,7-8,10-11,17H,3,6,9,12-14H2,1H3.
What are the key properties of 2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine?
2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine has a molecular weight of 297.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine is sourced from PubChem (CID 163355049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).