2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine

C135H182F6N18O11 — CID 161106444

IUPAC2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1cncc(CCN2CCC(C#Cc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(CCc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3cccc(F)c3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3ccccc3F)CC2)n1.CC(Oc1ccccc1F)C1CCN(Cc2nccnc2OC(C)(C)C)CC1.COc1ccccc1OCC1CCN(CCc2cncc(OC(C)(C)C)n2)CC1
InChIInChI=1S/C23H32FN3O.C23H28FN3O.C23H33N3O3.C22H29F2N3O2.2C22H30FN3O2/c2*1-23(2,3)28-22-17-25-16-20(26-22)12-15-27-13-10-18(11-14-27)8-9-19-6-4-5-7-21(19)24;1-23(2,3)29-22-16-24-15-19(25-22)11-14-26-12-9-18(10-13-26)17-28-21-8-6-5-7-20(21)27-4;1-22(2,3)29-20-14-25-13-17(26-20)9-12-27-10-7-16(8-11-27)15-28-19-6-4-5-18(23)21(19)24;1-16(27-20-8-6-5-7-18(20)23)17-9-13-26(14-10-17)15-19-21(25-12-11-24-19)28-22(2,3)4;1-22(2,3)28-21-15-24-14-18(25-21)10-13-26-11-8-17(9-12-26)16-27-20-7-5-4-6-19(20)23/h4-7,16-18H,8-15H2,1-3H3;4-7,16-18H,10-15H2,1-3H3;5-8,15-16,18H,9-14,17H2,1-4H3;4-6,13-14,16H,7-12,15H2,1-3H3;5-8,11-12,16-17H,9-10,13-15H2,1-4H3;4-7,14-15,17H,8-13,16H2,1-3H3
InChIKeyUJCPDICDKKTQBG-UHFFFAOYSA-N
MW2347.04 g/mol
LogP25.64
Rot. Bonds39

About 2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine

2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine (PubChem CID 161106444) has the molecular formula C135H182F6N18O11 and a molecular weight of 2347.04 g/mol. Its IUPAC name is 2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine.

Molecular Properties

Compound Name2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine
PubChem CID161106444
Molecular FormulaC135H182F6N18O11
Molecular Weight2347.04 g/mol
Exact Mass2345.41
IUPAC Name2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1cncc(CCN2CCC(C#Cc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(CCc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3cccc(F)c3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3ccccc3F)CC2)n1.CC(Oc1ccccc1F)C1CCN(Cc2nccnc2OC(C)(C)C)CC1.COc1ccccc1OCC1CCN(CCc2cncc(OC(C)(C)C)n2)CC1
InChIInChI=1S/C23H32FN3O.C23H28FN3O.C23H33N3O3.C22H29F2N3O2.2C22H30FN3O2/c2*1-23(2,3)28-22-17-25-16-20(26-22)12-15-27-13-10-18(11-14-27)8-9-19-6-4-5-7-21(19)24;1-23(2,3)29-22-16-24-15-19(25-22)11-14-26-12-9-18(10-13-26)17-28-21-8-6-5-7-20(21)27-4;1-22(2,3)29-20-14-25-13-17(26-20)9-12-27-10-7-16(8-11-27)15-28-19-6-4-5-18(23)21(19)24;1-16(27-20-8-6-5-7-18(20)23)17-9-13-26(14-10-17)15-19-21(25-12-11-24-19)28-22(2,3)4;1-22(2,3)28-21-15-24-14-18(25-21)10-13-26-11-8-17(9-12-26)16-27-20-7-5-4-6-19(20)23/h4-7,16-18H,8-15H2,1-3H3;4-7,16-18H,10-15H2,1-3H3;5-8,15-16,18H,9-14,17H2,1-4H3;4-6,13-14,16H,7-12,15H2,1-3H3;5-8,11-12,16-17H,9-10,13-15H2,1-4H3;4-7,14-15,17H,8-13,16H2,1-3H3
InChIKeyUJCPDICDKKTQBG-UHFFFAOYSA-N
XLogP25.64
TPSA275.65 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002347.04
LogP ≤ 525.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine?
The IUPAC name of 2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine (CID 161106444) is 2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine.
What is the SMILES notation for 2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine?
The canonical SMILES for 2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine is CC(C)(C)Oc1cncc(CCN2CCC(C#Cc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(CCc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3cccc(F)c3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3ccccc3F)CC2)n1.CC(Oc1ccccc1F)C1CCN(Cc2nccnc2OC(C)(C)C)CC1.COc1ccccc1OCC1CCN(CCc2cncc(OC(C)(C)C)n2)CC1.
What is the InChIKey of 2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine?
The InChIKey is UJCPDICDKKTQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O.C23H28FN3O.C23H33N3O3.C22H29F2N3O2.2C22H30FN3O2/c2*1-23(2,3)28-22-17-25-16-20(26-22)12-15-27-13-10-18(11-14-27)8-9-19-6-4-5-7-21(19)24;1-23(2,3)29-22-16-24-15-19(25-22)11-14-26-12-9-18(10-13-26)17-28-21-8-6-5-7-20(21)27-4;1-22(2,3)29-20-14-25-13-17(26-20)9-12-27-10-7-16(8-11-27)15-28-19-6-4-5-18(23)21(19)24;1-16(27-20-8-6-5-7-18(20)23)17-9-13-26(14-10-17)15-19-21(25-12-11-24-19)28-22(2,3)4;1-22(2,3)28-21-15-24-14-18(25-21)10-13-26-11-8-17(9-12-26)16-27-20-7-5-4-6-19(20)23/h4-7,16-18H,8-15H2,1-3H3;4-7,16-18H,10-15H2,1-3H3;5-8,15-16,18H,9-14,17H2,1-4H3;4-6,13-14,16H,7-12,15H2,1-3H3;5-8,11-12,16-17H,9-10,13-15H2,1-4H3;4-7,14-15,17H,8-13,16H2,1-3H3.
What are the key properties of 2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine?
2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine has a molecular weight of 2347.04 g/mol, XLogP of 25.64, 39 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2,3-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine is sourced from PubChem (CID 161106444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).