2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine

C132H201ClFN9O13S — CID 159292490

About 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine

2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine (PubChem CID 159292490) has the molecular formula C132H201ClFN9O13S and a molecular weight of 2211.65 g/mol. Its IUPAC name is 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine.

Molecular Properties

• Compound Name: 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine
• PubChem CID: 159292490
• Molecular Formula: C132H201ClFN9O13S
• Molecular Weight: 2211.65 g/mol
• Exact Mass: 2209.49
• IUPAC Name: 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine
• SMILES: CC(C)(C)c1ccc(Cl)c(OCc2ccccn2)c1.CC(C)(C)c1ccc(OCCCS(C)(=O)=O)nc1.CC(C)(C)c1cccc(N2CCN(CCO)CC2)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CN1CCC(COc2ccc(C(C)(C)C)cn2)CC1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCOc1ccc(C(C)(C)C)cc1F.[2H]C([2H])([2H])Oc1ccc(C(C)(C)C)cn1
• InChI: InChI=1S/2C17H27NO.C16H18ClNO.2C16H26N2O.C14H22O2.C13H19FO2.C13H21NO3S.C10H15NO/c1-17(2,3)15-8-5-9-16(11-15)19-13-14-7-6-10-18(4)12-14;1-17(2,3)15-6-5-7-16(12-15)19-13-14-8-10-18(4)11-9-14;1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-4-5-9-18-13;1-16(2,3)14-5-6-15(17-11-14)19-12-13-7-9-18(4)10-8-13;1-16(2,3)14-5-4-6-15(13-14)18-9-7-17(8-10-18)11-12-19;1-13(2,3)11-7-6-8-12(9-11)16-14(4,5)10-15;1-13(2,3)10-5-6-12(11(14)9-10)16-8-7-15-4;1-13(2,3)11-6-7-12(14-10-11)17-8-5-9-18(4,15)16;1-10(2,3)8-5-6-9(12-4)11-7-8/h5,8-9,11,14H,6-7,10,12-13H2,1-4H3;5-7,12,14H,8-11,13H2,1-4H3;4-10H,11H2,1-3H3;5-6,11,13H,7-10,12H2,1-4H3;4-6,13,19H,7-12H2,1-3H3;6-9,15H,10H2,1-5H3;5-6,9H,7-8H2,1-4H3;6-7,10H,5,8-9H2,1-4H3;5-7H,1-4H3/i;;;;;;;;4D3
• InChIKey: LAHKWCZSESZOBR-LOGWUITPSA-N
• XLogP: 28.08
• TPSA: 225.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2211.65
LogP ≤ 5	28.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine?

The IUPAC name of 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine (CID 159292490) is 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine.

What is the SMILES notation for 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine?

The canonical SMILES for 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine is CC(C)(C)c1ccc(Cl)c(OCc2ccccn2)c1.CC(C)(C)c1ccc(OCCCS(C)(=O)=O)nc1.CC(C)(C)c1cccc(N2CCN(CCO)CC2)c1.CC(C)(CO)Oc1cccc(C(C)(C)C)c1.CN1CCC(COc2ccc(C(C)(C)C)cn2)CC1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCOc1ccc(C(C)(C)C)cc1F.[2H]C([2H])([2H])Oc1ccc(C(C)(C)C)cn1.

What is the InChIKey of 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine?

The InChIKey is LAHKWCZSESZOBR-LOGWUITPSA-N. The full InChI is InChI=1S/2C17H27NO.C16H18ClNO.2C16H26N2O.C14H22O2.C13H19FO2.C13H21NO3S.C10H15NO/c1-17(2,3)15-8-5-9-16(11-15)19-13-14-7-6-10-18(4)12-14;1-17(2,3)15-6-5-7-16(12-15)19-13-14-8-10-18(4)11-9-14;1-16(2,3)12-7-8-14(17)15(10-12)19-11-13-6-4-5-9-18-13;1-16(2,3)14-5-6-15(17-11-14)19-12-13-7-9-18(4)10-8-13;1-16(2,3)14-5-4-6-15(13-14)18-9-7-17(8-10-18)11-12-19;1-13(2,3)11-7-6-8-12(9-11)16-14(4,5)10-15;1-13(2,3)10-5-6-12(11(14)9-10)16-8-7-15-4;1-13(2,3)11-6-7-12(14-10-11)17-8-5-9-18(4,15)16;1-10(2,3)8-5-6-9(12-4)11-7-8/h5,8-9,11,14H,6-7,10,12-13H2,1-4H3;5-7,12,14H,8-11,13H2,1-4H3;4-10H,11H2,1-3H3;5-6,11,13H,7-10,12H2,1-4H3;4-6,13,19H,7-12H2,1-3H3;6-9,15H,10H2,1-5H3;5-6,9H,7-8H2,1-4H3;6-7,10H,5,8-9H2,1-4H3;5-7H,1-4H3/i;;;;;;;;4D3.

What are the key properties of 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine?

2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine has a molecular weight of 2211.65 g/mol, XLogP of 28.08, 29 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine is sourced from PubChem (CID 159292490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).