2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine

C17H19F2N3O — CID 154829858

IUPAC2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
SMILESFc1cc(F)cc(CN2CCC(COc3cnccn3)CC2)c1
InChIInChI=1S/C17H19F2N3O/c18-15-7-14(8-16(19)9-15)11-22-5-1-13(2-6-22)12-23-17-10-20-3-4-21-17/h3-4,7-10,13H,1-2,5-6,11-12H2
InChIKeyKOIUKFWHDPYJAY-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.05
Rot. Bonds5

About 2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine

2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine (PubChem CID 154829858) has the molecular formula C17H19F2N3O and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
PubChem CID154829858
Molecular FormulaC17H19F2N3O
Molecular Weight319.35 g/mol
Exact Mass319.15
IUPAC Name2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
SMILESFc1cc(F)cc(CN2CCC(COc3cnccn3)CC2)c1
InChIInChI=1S/C17H19F2N3O/c18-15-7-14(8-16(19)9-15)11-22-5-1-13(2-6-22)12-23-17-10-20-3-4-21-17/h3-4,7-10,13H,1-2,5-6,11-12H2
InChIKeyKOIUKFWHDPYJAY-UHFFFAOYSA-N
XLogP3.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154580959
5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 154575549
2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154829932
2-methyl-5-[[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 154829483
2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163356836
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
CID 67492267
2-(piperidin-4-ylmethoxy)pyrazine;hydrochloride
CID 71636924
2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163355049
2-methylsulfanyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 154583173
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 154583110
2-[[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine
CID 163354536

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
The IUPAC name of 2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine (CID 154829858) is 2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine.
What is the SMILES notation for 2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
The canonical SMILES for 2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine is Fc1cc(F)cc(CN2CCC(COc3cnccn3)CC2)c1.
What is the InChIKey of 2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
The InChIKey is KOIUKFWHDPYJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c18-15-7-14(8-16(19)9-15)11-22-5-1-13(2-6-22)12-23-17-10-20-3-4-21-17/h3-4,7-10,13H,1-2,5-6,11-12H2.
What are the key properties of 2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine has a molecular weight of 319.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine is sourced from PubChem (CID 154829858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).