2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine

C18H21F2N3O2 — CID 22248304

IUPAC2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine
SMILESCOc1nccnc1CN1CCC(COc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H21F2N3O2/c1-24-18-16(21-6-7-22-18)11-23-8-4-13(5-9-23)12-25-17-10-14(19)2-3-15(17)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
InChIKeyBIPAFMSVZKVTSJ-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.05
Rot. Bonds6

About 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine

2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine (PubChem CID 22248304) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine.

Molecular Properties

Compound Name2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine
PubChem CID22248304
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine
SMILESCOc1nccnc1CN1CCC(COc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H21F2N3O2/c1-24-18-16(21-6-7-22-18)11-23-8-4-13(5-9-23)12-25-17-10-14(19)2-3-15(17)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
InChIKeyBIPAFMSVZKVTSJ-UHFFFAOYSA-N
XLogP3.05
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine?
The IUPAC name of 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine (CID 22248304) is 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine.
What is the SMILES notation for 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine?
The canonical SMILES for 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine is COc1nccnc1CN1CCC(COc2cc(F)ccc2F)CC1.
What is the InChIKey of 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine?
The InChIKey is BIPAFMSVZKVTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-24-18-16(21-6-7-22-18)11-23-8-4-13(5-9-23)12-25-17-10-14(19)2-3-15(17)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3.
What are the key properties of 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine?
2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine has a molecular weight of 349.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine is sourced from PubChem (CID 22248304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).