ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol

C115H153F2N15O11 — CID 159638144

IUPACethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol
SMILESCC(C)(C)Oc1nccnc1CN1CCC(CO)(CCc2ccccc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(O)(C#Cc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(O)(CCc2ccccc2F)CC1.CCOC(=O)C1(CCc2ccccc2)CCN(Cc2nccnc2OC(C)(C)C)CC1.Cc1ccccc1C#CC1(O)CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C25H35N3O3.C23H29N3O2.C23H33N3O2.C22H30FN3O2.C22H26FN3O2/c1-5-30-23(29)25(12-11-20-9-7-6-8-10-20)13-17-28(18-14-25)19-21-22(27-16-15-26-21)31-24(2,3)4;1-18-7-5-6-8-19(18)9-10-23(27)11-15-26(16-12-23)17-20-21(25-14-13-24-20)28-22(2,3)4;1-22(2,3)28-21-20(24-13-14-25-21)17-26-15-11-23(18-27,12-16-26)10-9-19-7-5-4-6-8-19;2*1-21(2,3)28-20-19(24-12-13-25-20)16-26-14-10-22(27,11-15-26)9-8-17-6-4-5-7-18(17)23/h6-10,15-16H,5,11-14,17-19H2,1-4H3;5-8,13-14,27H,11-12,15-17H2,1-4H3;4-8,13-14,27H,9-12,15-18H2,1-3H3;4-7,12-13,27H,8-11,14-16H2,1-3H3;4-7,12-13,27H,10-11,14-16H2,1-3H3
InChIKeyMPZQVSGADQWCJM-UHFFFAOYSA-N
MW1959.58 g/mol
LogP18.56
Rot. Bonds27

About ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol

ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol (PubChem CID 159638144) has the molecular formula C115H153F2N15O11 and a molecular weight of 1959.58 g/mol. Its IUPAC name is ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol
PubChem CID159638144
Molecular FormulaC115H153F2N15O11
Molecular Weight1959.58 g/mol
Exact Mass1958.18
IUPAC Nameethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol
SMILESCC(C)(C)Oc1nccnc1CN1CCC(CO)(CCc2ccccc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(O)(C#Cc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(O)(CCc2ccccc2F)CC1.CCOC(=O)C1(CCc2ccccc2)CCN(Cc2nccnc2OC(C)(C)C)CC1.Cc1ccccc1C#CC1(O)CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C25H35N3O3.C23H29N3O2.C23H33N3O2.C22H30FN3O2.C22H26FN3O2/c1-5-30-23(29)25(12-11-20-9-7-6-8-10-20)13-17-28(18-14-25)19-21-22(27-16-15-26-21)31-24(2,3)4;1-18-7-5-6-8-19(18)9-10-23(27)11-15-26(16-12-23)17-20-21(25-14-13-24-20)28-22(2,3)4;1-22(2,3)28-21-20(24-13-14-25-21)17-26-15-11-23(18-27,12-16-26)10-9-19-7-5-4-6-8-19;2*1-21(2,3)28-20-19(24-12-13-25-20)16-26-14-10-22(27,11-15-26)9-8-17-6-4-5-7-18(17)23/h6-10,15-16H,5,11-14,17-19H2,1-4H3;5-8,13-14,27H,11-12,15-17H2,1-4H3;4-8,13-14,27H,9-12,15-18H2,1-3H3;4-7,12-13,27H,8-11,14-16H2,1-3H3;4-7,12-13,27H,10-11,14-16H2,1-3H3
InChIKeyMPZQVSGADQWCJM-UHFFFAOYSA-N
XLogP18.56
TPSA298.47 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001959.58
LogP ≤ 518.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol?
The IUPAC name of ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol (CID 159638144) is ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol.
What is the SMILES notation for ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol?
The canonical SMILES for ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol is CC(C)(C)Oc1nccnc1CN1CCC(CO)(CCc2ccccc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(O)(C#Cc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(O)(CCc2ccccc2F)CC1.CCOC(=O)C1(CCc2ccccc2)CCN(Cc2nccnc2OC(C)(C)C)CC1.Cc1ccccc1C#CC1(O)CCN(Cc2nccnc2OC(C)(C)C)CC1.
What is the InChIKey of ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol?
The InChIKey is MPZQVSGADQWCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3.C23H29N3O2.C23H33N3O2.C22H30FN3O2.C22H26FN3O2/c1-5-30-23(29)25(12-11-20-9-7-6-8-10-20)13-17-28(18-14-25)19-21-22(27-16-15-26-21)31-24(2,3)4;1-18-7-5-6-8-19(18)9-10-23(27)11-15-26(16-12-23)17-20-21(25-14-13-24-20)28-22(2,3)4;1-22(2,3)28-21-20(24-13-14-25-21)17-26-15-11-23(18-27,12-16-26)10-9-19-7-5-4-6-8-19;2*1-21(2,3)28-20-19(24-12-13-25-20)16-26-14-10-22(27,11-15-26)9-8-17-6-4-5-7-18(17)23/h6-10,15-16H,5,11-14,17-19H2,1-4H3;5-8,13-14,27H,11-12,15-17H2,1-4H3;4-8,13-14,27H,9-12,15-18H2,1-3H3;4-7,12-13,27H,8-11,14-16H2,1-3H3;4-7,12-13,27H,10-11,14-16H2,1-3H3.
What are the key properties of ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol?
ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol has a molecular weight of 1959.58 g/mol, XLogP of 18.56, 27 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-fluorophenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[2-(2-methylphenyl)ethynyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]-4-(2-phenylethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 159638144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).