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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine

C130H172ClF6N19O14 — CID 159062579

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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine
SMILESCC(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.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2OC(F)(F)F)CC1.CCOc1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C23H33N3O3.C22H28F3N3O3.C22H28N4O2.C21H28ClN3O2.C21H27F2N3O2.C21H28FN3O2/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;1-21(2,3)31-20-17(26-10-11-27-20)14-28-12-8-16(9-13-28)15-29-18-6-4-5-7-19(18)30-22(23,24)25;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/h6-9,12-13,18H,5,10-11,14-17H2,1-4H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;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
InChIKeyJYQQJWYHDFRHDA-UHFFFAOYSA-N
MW2374.37 g/mol
LogP25.91
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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine

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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine (PubChem CID 159062579) has the molecular formula C130H172ClF6N19O14 and a molecular weight of 2374.37 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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine.

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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine
PubChem CID159062579
Molecular FormulaC130H172ClF6N19O14
Molecular Weight2374.37 g/mol
Exact Mass2372.29
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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine
SMILESCC(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.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2OC(F)(F)F)CC1.CCOc1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C23H33N3O3.C22H28F3N3O3.C22H28N4O2.C21H28ClN3O2.C21H27F2N3O2.C21H28FN3O2/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;1-21(2,3)31-20-17(26-10-11-27-20)14-28-12-8-16(9-13-28)15-29-18-6-4-5-7-19(18)30-22(23,24)25;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/h6-9,12-13,18H,5,10-11,14-17H2,1-4H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;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
InChIKeyJYQQJWYHDFRHDA-UHFFFAOYSA-N
XLogP25.91
TPSA327.13 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds39
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002374.37
LogP ≤ 525.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine 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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine?
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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine (CID 159062579) 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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine.
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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine?
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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine is 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.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2OC(F)(F)F)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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine?
The InChIKey is JYQQJWYHDFRHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3.C22H28F3N3O3.C22H28N4O2.C21H28ClN3O2.C21H27F2N3O2.C21H28FN3O2/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;1-21(2,3)31-20-17(26-10-11-27-20)14-28-12-8-16(9-13-28)15-29-18-6-4-5-7-19(18)30-22(23,24)25;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/h6-9,12-13,18H,5,10-11,14-17H2,1-4H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;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.
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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine?
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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine has a molecular weight of 2374.37 g/mol, XLogP of 25.91, 39 rotatable bonds, 0 hydrogen bond donors, and 33 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-[[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-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 159062579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).