4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine

C156H235N9O21S2 — CID 159195785

About 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine

4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine (PubChem CID 159195785) has the molecular formula C156H235N9O21S2 and a molecular weight of 2636.77 g/mol. Its IUPAC name is 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine.

Molecular Properties

• Compound Name: 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine
• PubChem CID: 159195785
• Molecular Formula: C156H235N9O21S2
• Molecular Weight: 2636.77 g/mol
• Exact Mass: 2634.70
• IUPAC Name: 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine
• SMILES: CC(C)(C)OCc1cccc(CN2CCC(OCCCS(C)(=O)=O)CC2)c1.CC(C)(C)OCc1cccc(CN2CCCCC2)c1.CC(C)(O)CCOC1CCN(Cc2cccc(COC(C)(C)C)c2)CC1.CC1CCN(Cc2cccc(COC(C)(C)C)c2)CC1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc(COC(C)(C)C)c1.Cc1nc(OCCCS(C)(=O)=O)ccc1Oc1cccc(COC(C)(C)C)c1.Cc1ncccc1Oc1cccc(COC(C)(C)C)c1.[C-]#[N+]C1CCN(Cc2cccc(COC(C)(C)C)c2)CC1
• InChI: InChI=1S/C22H31NO4.C22H37NO3.C21H29NO5S.C21H35NO4S.C18H26N2O.C18H29NO.C17H21NO2.C17H27NO/c1-16-19(10-11-20(23-16)25-13-12-22(5,6)24)27-18-9-7-8-17(14-18)15-26-21(2,3)4;1-21(2,3)26-17-19-8-6-7-18(15-19)16-23-12-9-20(10-13-23)25-14-11-22(4,5)24;1-16-19(10-11-20(22-16)25-12-7-13-28(5,23)24)27-18-9-6-8-17(14-18)15-26-21(2,3)4;1-21(2,3)26-17-19-8-5-7-18(15-19)16-22-11-9-20(10-12-22)25-13-6-14-27(4,23)24;1-18(2,3)21-14-16-7-5-6-15(12-16)13-20-10-8-17(19-4)9-11-20;1-15-8-10-19(11-9-15)13-16-6-5-7-17(12-16)14-20-18(2,3)4;1-13-16(9-6-10-18-13)20-15-8-5-7-14(11-15)12-19-17(2,3)4;1-17(2,3)19-14-16-9-7-8-15(12-16)13-18-10-5-4-6-11-18/h7-11,14,24H,12-13,15H2,1-6H3;6-8,15,20,24H,9-14,16-17H2,1-5H3;6,8-11,14H,7,12-13,15H2,1-5H3;5,7-8,15,20H,6,9-14,16-17H2,1-4H3;5-7,12,17H,8-11,13-14H2,1-3H3;5-7,12,15H,8-11,13-14H2,1-4H3;5-11H,12H2,1-4H3;7-9,12H,4-6,10-11,13-14H2,1-3H3
• InChIKey: KOQKKZCOBBWDTO-UHFFFAOYSA-N
• XLogP: 33.51
• TPSA: 306.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 50
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2636.77
LogP ≤ 5	33.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine?

The IUPAC name of 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine (CID 159195785) is 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine.

What is the SMILES notation for 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine?

The canonical SMILES for 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine is CC(C)(C)OCc1cccc(CN2CCC(OCCCS(C)(=O)=O)CC2)c1.CC(C)(C)OCc1cccc(CN2CCCCC2)c1.CC(C)(O)CCOC1CCN(Cc2cccc(COC(C)(C)C)c2)CC1.CC1CCN(Cc2cccc(COC(C)(C)C)c2)CC1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc(COC(C)(C)C)c1.Cc1nc(OCCCS(C)(=O)=O)ccc1Oc1cccc(COC(C)(C)C)c1.Cc1ncccc1Oc1cccc(COC(C)(C)C)c1.[C-]#[N+]C1CCN(Cc2cccc(COC(C)(C)C)c2)CC1.

What is the InChIKey of 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine?

The InChIKey is KOQKKZCOBBWDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4.C22H37NO3.C21H29NO5S.C21H35NO4S.C18H26N2O.C18H29NO.C17H21NO2.C17H27NO/c1-16-19(10-11-20(23-16)25-13-12-22(5,6)24)27-18-9-7-8-17(14-18)15-26-21(2,3)4;1-21(2,3)26-17-19-8-6-7-18(15-19)16-23-12-9-20(10-13-23)25-14-11-22(4,5)24;1-16-19(10-11-20(22-16)25-12-7-13-28(5,23)24)27-18-9-6-8-17(14-18)15-26-21(2,3)4;1-21(2,3)26-17-19-8-5-7-18(15-19)16-22-11-9-20(10-12-22)25-13-6-14-27(4,23)24;1-18(2,3)21-14-16-7-5-6-15(12-16)13-20-10-8-17(19-4)9-11-20;1-15-8-10-19(11-9-15)13-16-6-5-7-17(12-16)14-20-18(2,3)4;1-13-16(9-6-10-18-13)20-15-8-5-7-14(11-15)12-19-17(2,3)4;1-17(2,3)19-14-16-9-7-8-15(12-16)13-18-10-5-4-6-11-18/h7-11,14,24H,12-13,15H2,1-6H3;6-8,15,20,24H,9-14,16-17H2,1-5H3;6,8-11,14H,7,12-13,15H2,1-5H3;5,7-8,15,20H,6,9-14,16-17H2,1-4H3;5-7,12,17H,8-11,13-14H2,1-3H3;5-7,12,15H,8-11,13-14H2,1-4H3;5-11H,12H2,1-4H3;7-9,12H,4-6,10-11,13-14H2,1-3H3.

What are the key properties of 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine?

4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine has a molecular weight of 2636.77 g/mol, XLogP of 33.51, 50 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[[6-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-2-pyridinyl]oxy]butan-2-ol;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;4-methyl-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methyl-4-[1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidin-4-yl]oxybutan-2-ol;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-4-(3-methylsulfonylpropoxy)piperidine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine is sourced from PubChem (CID 159195785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).