2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine

C18H22FN3O2 — CID 163356836

IUPAC2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
SMILESCOc1ccc(CN2CCCC(COc3cnccn3)C2)cc1F
InChIInChI=1S/C18H22FN3O2/c1-23-17-5-4-14(9-16(17)19)11-22-8-2-3-15(12-22)13-24-18-10-20-6-7-21-18/h4-7,9-10,15H,2-3,8,11-13H2,1H3
InChIKeyNLVQUYIKXAHUBO-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.92
Rot. Bonds6

About 2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine

2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine (PubChem CID 163356836) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
PubChem CID163356836
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
SMILESCOc1ccc(CN2CCCC(COc3cnccn3)C2)cc1F
InChIInChI=1S/C18H22FN3O2/c1-23-17-5-4-14(9-16(17)19)11-22-8-2-3-15(12-22)13-24-18-10-20-6-7-21-18/h4-7,9-10,15H,2-3,8,11-13H2,1H3
InChIKeyNLVQUYIKXAHUBO-UHFFFAOYSA-N
XLogP2.92
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163355049
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
2-methyl-5-[[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 163354661
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
CID 155974679
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163355020
2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154829858
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95829511
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63855146

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine?
The IUPAC name of 2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine (CID 163356836) is 2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine.
What is the SMILES notation for 2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine?
The canonical SMILES for 2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine is COc1ccc(CN2CCCC(COc3cnccn3)C2)cc1F.
What is the InChIKey of 2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine?
The InChIKey is NLVQUYIKXAHUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-23-17-5-4-14(9-16(17)19)11-22-8-2-3-15(12-22)13-24-18-10-20-6-7-21-18/h4-7,9-10,15H,2-3,8,11-13H2,1H3.
What are the key properties of 2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine?
2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine has a molecular weight of 331.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine is sourced from PubChem (CID 163356836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).