2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine

C136H174F6N18O11 — CID 158534609

IUPAC2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine
SMILESCC(C)(C)Oc1nc2ccccc2nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.CC(C)(C)Oc1nc2ccccc2nc1CN1CCC(COc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CCc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2c(F)cccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccc(F)cc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2)CC1
InChIInChI=1S/C26H30FN3O2.C25H30FN3O2.C22H30FN3O.C21H27F2N3O2.C21H28FN3O2.C21H29N3O2/c1-26(2,3)32-25-23(28-21-10-6-7-11-22(21)29-25)17-30-14-12-18(13-15-30)24(31)16-19-8-4-5-9-20(19)27;1-25(2,3)31-24-22(27-20-9-5-6-10-21(20)28-24)16-29-14-12-18(13-15-29)17-30-23-11-7-4-8-19(23)26;1-22(2,3)27-21-20(24-12-13-25-21)16-26-14-10-17(11-15-26)8-9-18-6-4-5-7-19(18)23;1-21(2,3)28-20-18(24-9-10-25-20)13-26-11-7-15(8-12-26)14-27-19-16(22)5-4-6-17(19)23;1-21(2,3)27-20-19(23-10-11-24-20)14-25-12-8-16(9-13-25)15-26-18-6-4-17(22)5-7-18;1-21(2,3)26-20-19(22-11-12-23-20)15-24-13-9-17(10-14-24)16-25-18-7-5-4-6-8-18/h4-11,18H,12-17H2,1-3H3;4-11,18H,12-17H2,1-3H3;4-7,12-13,17H,8-11,14-16H2,1-3H3;4-6,9-10,15H,7-8,11-14H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-8,11-12,17H,9-10,13-16H2,1-3H3
InChIKeyHNUCAMCNPDWBSG-UHFFFAOYSA-N
MW2350.99 g/mol
LogP27.10
Rot. Bonds36

About 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine

2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine (PubChem CID 158534609) has the molecular formula C136H174F6N18O11 and a molecular weight of 2350.99 g/mol. Its IUPAC name is 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine
PubChem CID158534609
Molecular FormulaC136H174F6N18O11
Molecular Weight2350.99 g/mol
Exact Mass2349.35
IUPAC Name2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine
SMILESCC(C)(C)Oc1nc2ccccc2nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.CC(C)(C)Oc1nc2ccccc2nc1CN1CCC(COc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CCc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2c(F)cccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccc(F)cc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2)CC1
InChIInChI=1S/C26H30FN3O2.C25H30FN3O2.C22H30FN3O.C21H27F2N3O2.C21H28FN3O2.C21H29N3O2/c1-26(2,3)32-25-23(28-21-10-6-7-11-22(21)29-25)17-30-14-12-18(13-15-30)24(31)16-19-8-4-5-9-20(19)27;1-25(2,3)31-24-22(27-20-9-5-6-10-21(20)28-24)16-29-14-12-18(13-15-29)17-30-23-11-7-4-8-19(23)26;1-22(2,3)27-21-20(24-12-13-25-21)16-26-14-10-17(11-15-26)8-9-18-6-4-5-7-19(18)23;1-21(2,3)28-20-18(24-9-10-25-20)13-26-11-7-15(8-12-26)14-27-19-16(22)5-4-6-17(19)23;1-21(2,3)27-20-19(23-10-11-24-20)14-25-12-8-16(9-13-25)15-26-18-6-4-17(22)5-7-18;1-21(2,3)26-20-19(22-11-12-23-20)15-24-13-9-17(10-14-24)16-25-18-7-5-4-6-8-18/h4-11,18H,12-17H2,1-3H3;4-11,18H,12-17H2,1-3H3;4-7,12-13,17H,8-11,14-16H2,1-3H3;4-6,9-10,15H,7-8,11-14H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-8,11-12,17H,9-10,13-16H2,1-3H3
InChIKeyHNUCAMCNPDWBSG-UHFFFAOYSA-N
XLogP27.10
TPSA283.49 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds36
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002350.99
LogP ≤ 527.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine (CID 158534609) is 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine is CC(C)(C)Oc1nc2ccccc2nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.CC(C)(C)Oc1nc2ccccc2nc1CN1CCC(COc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CCc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2c(F)cccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccc(F)cc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2)CC1.
What is the InChIKey of 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine?
The InChIKey is HNUCAMCNPDWBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2.C25H30FN3O2.C22H30FN3O.C21H27F2N3O2.C21H28FN3O2.C21H29N3O2/c1-26(2,3)32-25-23(28-21-10-6-7-11-22(21)29-25)17-30-14-12-18(13-15-30)24(31)16-19-8-4-5-9-20(19)27;1-25(2,3)31-24-22(27-20-9-5-6-10-21(20)28-24)16-29-14-12-18(13-15-29)17-30-23-11-7-4-8-19(23)26;1-22(2,3)27-21-20(24-12-13-25-21)16-26-14-10-17(11-15-26)8-9-18-6-4-5-7-19(18)23;1-21(2,3)28-20-18(24-9-10-25-20)13-26-11-7-15(8-12-26)14-27-19-16(22)5-4-6-17(19)23;1-21(2,3)27-20-19(23-10-11-24-20)14-25-12-8-16(9-13-25)15-26-18-6-4-17(22)5-7-18;1-21(2,3)26-20-19(22-11-12-23-20)15-24-13-9-17(10-14-24)16-25-18-7-5-4-6-8-18/h4-11,18H,12-17H2,1-3H3;4-11,18H,12-17H2,1-3H3;4-7,12-13,17H,8-11,14-16H2,1-3H3;4-6,9-10,15H,7-8,11-14H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-8,11-12,17H,9-10,13-16H2,1-3H3.
What are the key properties of 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine?
2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine has a molecular weight of 2350.99 g/mol, XLogP of 27.10, 36 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 158534609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).