2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine

C17H19ClFN3O — CID 154829932

IUPAC2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
SMILESFc1cccc(Cl)c1CN1CCC(COc2cnccn2)CC1
InChIInChI=1S/C17H19ClFN3O/c18-15-2-1-3-16(19)14(15)11-22-8-4-13(5-9-22)12-23-17-10-20-6-7-21-17/h1-3,6-7,10,13H,4-5,8-9,11-12H2
InChIKeyINGUDNBAFWNAIW-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.56
Rot. Bonds5

About 2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine

2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine (PubChem CID 154829932) has the molecular formula C17H19ClFN3O and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
PubChem CID154829932
Molecular FormulaC17H19ClFN3O
Molecular Weight335.81 g/mol
Exact Mass335.12
IUPAC Name2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
SMILESFc1cccc(Cl)c1CN1CCC(COc2cnccn2)CC1
InChIInChI=1S/C17H19ClFN3O/c18-15-2-1-3-16(19)14(15)11-22-8-4-13(5-9-22)12-23-17-10-20-6-7-21-17/h1-3,6-7,10,13H,4-5,8-9,11-12H2
InChIKeyINGUDNBAFWNAIW-UHFFFAOYSA-N
XLogP3.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154829858
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154580959
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
2-[[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methoxy]pyrazine
CID 163354536
1-[(2-chloro-6-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 45011773
5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 154575549
2-methyl-5-[[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 154829483
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
1-[(2-chloro-6-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531122
4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine
CID 171691361

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
The IUPAC name of 2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine (CID 154829932) is 2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine.
What is the SMILES notation for 2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
The canonical SMILES for 2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine is Fc1cccc(Cl)c1CN1CCC(COc2cnccn2)CC1.
What is the InChIKey of 2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
The InChIKey is INGUDNBAFWNAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O/c18-15-2-1-3-16(19)14(15)11-22-8-4-13(5-9-22)12-23-17-10-20-6-7-21-17/h1-3,6-7,10,13H,4-5,8-9,11-12H2.
What are the key properties of 2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine?
2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine has a molecular weight of 335.81 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methoxy]pyrazine is sourced from PubChem (CID 154829932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).