2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine

C111H147ClF5N15O7 — CID 157347676

IUPAC2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine
SMILESCC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2cccc(F)c2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2ccccc2Cl)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C#Cc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COC2CCCCC2OC(F)(F)F)CC1.Cc1ccccc1/C=C/C1CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C23H31N3O.C22H28ClN3O.C22H34F3N3O3.C22H28FN3O.C22H26FN3O/c1-18-7-5-6-8-20(18)10-9-19-11-15-26(16-12-19)17-21-22(25-14-13-24-21)27-23(2,3)4;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)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)27-21-20(24-11-12-25-21)16-26-13-9-17(10-14-26)7-8-18-5-4-6-19(23)15-18;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/h5-10,13-14,19H,11-12,15-17H2,1-4H3;4-9,12-13,17H,10-11,14-16H2,1-3H3;10-11,16,18-19H,4-9,12-15H2,1-3H3;4-8,11-12,15,17H,9-10,13-14,16H2,1-3H3;4-7,12-13,17H,10-11,14-16H2,1-3H3/b10-9+;9-8+;;8-7+;
InChIKeyBHDXHCOEKJEKJS-OYJSYGTFSA-N
MW1933.94 g/mol
LogP23.63
Rot. Bonds25

About 2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine

2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine (PubChem CID 157347676) has the molecular formula C111H147ClF5N15O7 and a molecular weight of 1933.94 g/mol. Its IUPAC name is 2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine
PubChem CID157347676
Molecular FormulaC111H147ClF5N15O7
Molecular Weight1933.94 g/mol
Exact Mass1932.12
IUPAC Name2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine
SMILESCC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2cccc(F)c2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2ccccc2Cl)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C#Cc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COC2CCCCC2OC(F)(F)F)CC1.Cc1ccccc1/C=C/C1CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C23H31N3O.C22H28ClN3O.C22H34F3N3O3.C22H28FN3O.C22H26FN3O/c1-18-7-5-6-8-20(18)10-9-19-11-15-26(16-12-19)17-21-22(25-14-13-24-21)27-23(2,3)4;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)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)27-21-20(24-11-12-25-21)16-26-13-9-17(10-14-26)7-8-18-5-4-6-19(23)15-18;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/h5-10,13-14,19H,11-12,15-17H2,1-4H3;4-9,12-13,17H,10-11,14-16H2,1-3H3;10-11,16,18-19H,4-9,12-15H2,1-3H3;4-8,11-12,15,17H,9-10,13-14,16H2,1-3H3;4-7,12-13,17H,10-11,14-16H2,1-3H3/b10-9+;9-8+;;8-7+;
InChIKeyBHDXHCOEKJEKJS-OYJSYGTFSA-N
XLogP23.63
TPSA209.71 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001933.94
LogP ≤ 523.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine (CID 157347676) is 2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine is CC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2cccc(F)c2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2ccccc2Cl)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C#Cc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COC2CCCCC2OC(F)(F)F)CC1.Cc1ccccc1/C=C/C1CCN(Cc2nccnc2OC(C)(C)C)CC1.
What is the InChIKey of 2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine?
The InChIKey is BHDXHCOEKJEKJS-OYJSYGTFSA-N. The full InChI is InChI=1S/C23H31N3O.C22H28ClN3O.C22H34F3N3O3.C22H28FN3O.C22H26FN3O/c1-18-7-5-6-8-20(18)10-9-19-11-15-26(16-12-19)17-21-22(25-14-13-24-21)27-23(2,3)4;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)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)27-21-20(24-11-12-25-21)16-26-13-9-17(10-14-26)7-8-18-5-4-6-19(23)15-18;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/h5-10,13-14,19H,11-12,15-17H2,1-4H3;4-9,12-13,17H,10-11,14-16H2,1-3H3;10-11,16,18-19H,4-9,12-15H2,1-3H3;4-8,11-12,15,17H,9-10,13-14,16H2,1-3H3;4-7,12-13,17H,10-11,14-16H2,1-3H3/b10-9+;9-8+;;8-7+;.
What are the key properties of 2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine?
2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine has a molecular weight of 1933.94 g/mol, XLogP of 23.63, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)cyclohexyl]oxymethyl]piperidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 157347676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).