2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile

C128H170ClF4N19O13 — CID 158645923

IUPAC2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile
SMILESCC(C)(C)Oc1nccnc1CN1CC(CCOc2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccc(F)cc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2cccc(F)c2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2C#N)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2Cl)CC1.CCOc1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C23H33N3O3.C22H28N4O2.C21H28ClN3O2.C21H27F2N3O2.C21H28FN3O2.C20H26FN3O2/c1-5-27-20-8-6-7-9-21(20)28-17-18-10-14-26(15-11-18)16-19-22(25-13-12-24-19)29-23(2,3)4;1-22(2,3)28-21-19(24-10-11-25-21)15-26-12-8-17(9-13-26)16-27-20-7-5-4-6-18(20)14-23;1-21(2,3)27-20-18(23-10-11-24-20)14-25-12-8-16(9-13-25)15-26-19-7-5-4-6-17(19)22;1-21(2,3)28-20-18(24-8-9-25-20)13-26-10-6-15(7-11-26)14-27-19-5-4-16(22)12-17(19)23;1-21(2,3)27-20-19(23-9-10-24-20)14-25-11-7-16(8-12-25)15-26-18-6-4-5-17(22)13-18;1-20(2,3)26-19-17(22-9-10-23-19)14-24-12-15(13-24)8-11-25-18-7-5-4-6-16(18)21/h6-9,12-13,18H,5,10-11,14-17H2,1-4H3;4-7,10-11,17H,8-9,12-13,15-16H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-5,8-9,12,15H,6-7,10-11,13-14H2,1-3H3;4-6,9-10,13,16H,7-8,11-12,14-15H2,1-3H3;4-7,9-10,15H,8,11-14H2,1-3H3
InChIKeyIAYRADGOIWUKSS-UHFFFAOYSA-N
MW2294.33 g/mol
LogP24.76
Rot. Bonds39

About 2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile

2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile (PubChem CID 158645923) has the molecular formula C128H170ClF4N19O13 and a molecular weight of 2294.33 g/mol. Its IUPAC name is 2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile
PubChem CID158645923
Molecular FormulaC128H170ClF4N19O13
Molecular Weight2294.33 g/mol
Exact Mass2292.29
IUPAC Name2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile
SMILESCC(C)(C)Oc1nccnc1CN1CC(CCOc2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccc(F)cc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2cccc(F)c2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2C#N)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2Cl)CC1.CCOc1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C23H33N3O3.C22H28N4O2.C21H28ClN3O2.C21H27F2N3O2.C21H28FN3O2.C20H26FN3O2/c1-5-27-20-8-6-7-9-21(20)28-17-18-10-14-26(15-11-18)16-19-22(25-13-12-24-19)29-23(2,3)4;1-22(2,3)28-21-19(24-10-11-25-21)15-26-12-8-17(9-13-26)16-27-20-7-5-4-6-18(20)14-23;1-21(2,3)27-20-18(23-10-11-24-20)14-25-12-8-16(9-13-25)15-26-19-7-5-4-6-17(19)22;1-21(2,3)28-20-18(24-8-9-25-20)13-26-10-6-15(7-11-26)14-27-19-5-4-16(22)12-17(19)23;1-21(2,3)27-20-19(23-9-10-24-20)14-25-11-7-16(8-12-25)15-26-18-6-4-5-17(22)13-18;1-20(2,3)26-19-17(22-9-10-23-19)14-24-12-15(13-24)8-11-25-18-7-5-4-6-16(18)21/h6-9,12-13,18H,5,10-11,14-17H2,1-4H3;4-7,10-11,17H,8-9,12-13,15-16H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-5,8-9,12,15H,6-7,10-11,13-14H2,1-3H3;4-6,9-10,13,16H,7-8,11-12,14-15H2,1-3H3;4-7,9-10,15H,8,11-14H2,1-3H3
InChIKeyIAYRADGOIWUKSS-UHFFFAOYSA-N
XLogP24.76
TPSA317.90 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds39
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002294.33
LogP ≤ 524.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile?
The IUPAC name of 2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile (CID 158645923) is 2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile.
What is the SMILES notation for 2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile?
The canonical SMILES for 2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile is CC(C)(C)Oc1nccnc1CN1CC(CCOc2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccc(F)cc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2cccc(F)c2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2C#N)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2Cl)CC1.CCOc1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1.
What is the InChIKey of 2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile?
The InChIKey is IAYRADGOIWUKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3.C22H28N4O2.C21H28ClN3O2.C21H27F2N3O2.C21H28FN3O2.C20H26FN3O2/c1-5-27-20-8-6-7-9-21(20)28-17-18-10-14-26(15-11-18)16-19-22(25-13-12-24-19)29-23(2,3)4;1-22(2,3)28-21-19(24-10-11-25-21)15-26-12-8-17(9-13-26)16-27-20-7-5-4-6-18(20)14-23;1-21(2,3)27-20-18(23-10-11-24-20)14-25-12-8-16(9-13-25)15-26-19-7-5-4-6-17(19)22;1-21(2,3)28-20-18(24-8-9-25-20)13-26-10-6-15(7-11-26)14-27-19-5-4-16(22)12-17(19)23;1-21(2,3)27-20-19(23-9-10-24-20)14-25-11-7-16(8-12-25)15-26-18-6-4-5-17(22)13-18;1-20(2,3)26-19-17(22-9-10-23-19)14-24-12-15(13-24)8-11-25-18-7-5-4-6-16(18)21/h6-9,12-13,18H,5,10-11,14-17H2,1-4H3;4-7,10-11,17H,8-9,12-13,15-16H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-5,8-9,12,15H,6-7,10-11,13-14H2,1-3H3;4-6,9-10,13,16H,7-8,11-12,14-15H2,1-3H3;4-7,9-10,15H,8,11-14H2,1-3H3.
What are the key properties of 2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile?
2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile has a molecular weight of 2294.33 g/mol, XLogP of 24.76, 39 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile is sourced from PubChem (CID 158645923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).