2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine

C18H23N3O — CID 154580959

IUPAC2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
SMILESCc1ccc(CN2CCC(COc3cnccn3)CC2)cc1
InChIInChI=1S/C18H23N3O/c1-15-2-4-16(5-3-15)13-21-10-6-17(7-11-21)14-22-18-12-19-8-9-20-18/h2-5,8-9,12,17H,6-7,10-11,13-14H2,1H3
InChIKeyKBLQWMZQVWYKQW-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.08
Rot. Bonds5

About 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine

2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine (PubChem CID 154580959) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
PubChem CID154580959
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
SMILESCc1ccc(CN2CCC(COc3cnccn3)CC2)cc1
InChIInChI=1S/C18H23N3O/c1-15-2-4-16(5-3-15)13-21-10-6-17(7-11-21)14-22-18-12-19-8-9-20-18/h2-5,8-9,12,17H,6-7,10-11,13-14H2,1H3
InChIKeyKBLQWMZQVWYKQW-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

Analyze 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154829858
2-methyl-5-[[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 154829483
2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154829932
2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163355049
2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434594
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434595
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
CID 154581188
2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163356836
3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 154575527
5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 154575549

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
The IUPAC name of 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine (CID 154580959) is 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine.
What is the SMILES notation for 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
The canonical SMILES for 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine is Cc1ccc(CN2CCC(COc3cnccn3)CC2)cc1.
What is the InChIKey of 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
The InChIKey is KBLQWMZQVWYKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15-2-4-16(5-3-15)13-21-10-6-17(7-11-21)14-22-18-12-19-8-9-20-18/h2-5,8-9,12,17H,6-7,10-11,13-14H2,1H3.
What are the key properties of 2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
2-[[1-[(4-methylphenyl)methyl]piperidin-4-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-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine is sourced from PubChem (CID 154580959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).