1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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

C165H246N12O19S — CID 159047343

IUPAC1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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
SMILESCC(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.COc1ccc(OC2C=C(COC(C)(C)C)CCC2)cn1.[C-]#[N+]C1CCN(Cc2cccc(COC(C)(C)C)c2)CC1.[C-]#[N+]c1ccc(OC2C=C(COC(C)(C)C)CCC2)cc1.[C-]#[N+]c1ccc(OC2C=C(COC(C)(C)C)CCC2)cn1.[C-]#[N+]c1ccc(OC2C=C(COC(C)(C)C)CCC2)nc1
InChIInChI=1S/C22H37NO3.C21H35NO4S.C18H26N2O.C18H23NO2.C18H29NO.2C17H22N2O2.C17H25NO3.C17H27NO/c1-21(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;1-21(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;1-18(2,3)20-13-14-6-5-7-17(12-14)21-16-10-8-15(19-4)9-11-16;1-15-8-10-19(11-9-15)13-16-6-5-7-17(12-16)14-20-18(2,3)4;1-17(2,3)20-12-13-6-5-7-15(10-13)21-16-9-8-14(18-4)11-19-16;1-17(2,3)20-12-13-6-5-7-14(10-13)21-15-8-9-16(18-4)19-11-15;1-17(2,3)20-12-13-6-5-7-14(10-13)21-15-8-9-16(19-4)18-11-15;1-17(2,3)19-14-16-9-7-8-15(12-16)13-18-10-5-4-6-11-18/h6-8,15,20,24H,9-14,16-17H2,1-5H3;5,7-8,15,20H,6,9-14,16-17H2,1-4H3;5-7,12,17H,8-11,13-14H2,1-3H3;8-12,17H,5-7,13H2,1-3H3;5-7,12,15H,8-11,13-14H2,1-4H3;8-11,15H,5-7,12H2,1-3H3;8-11,14H,5-7,12H2,1-3H3;8-11,14H,5-7,12H2,1-4H3;7-9,12H,4-6,10-11,13-14H2,1-3H3
InChIKeyJWUZDVDUFFRESD-UHFFFAOYSA-N
MW2733.91 g/mol
LogP36.95
Rot. Bonds46

About 1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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

1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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 159047343) has the molecular formula C165H246N12O19S and a molecular weight of 2733.91 g/mol. Its IUPAC name is 1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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 Name1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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 CID159047343
Molecular FormulaC165H246N12O19S
Molecular Weight2733.91 g/mol
Exact Mass2731.84
IUPAC Name1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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
SMILESCC(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.COc1ccc(OC2C=C(COC(C)(C)C)CCC2)cn1.[C-]#[N+]C1CCN(Cc2cccc(COC(C)(C)C)c2)CC1.[C-]#[N+]c1ccc(OC2C=C(COC(C)(C)C)CCC2)cc1.[C-]#[N+]c1ccc(OC2C=C(COC(C)(C)C)CCC2)cn1.[C-]#[N+]c1ccc(OC2C=C(COC(C)(C)C)CCC2)nc1
InChIInChI=1S/C22H37NO3.C21H35NO4S.C18H26N2O.C18H23NO2.C18H29NO.2C17H22N2O2.C17H25NO3.C17H27NO/c1-21(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;1-21(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;1-18(2,3)20-13-14-6-5-7-17(12-14)21-16-10-8-15(19-4)9-11-16;1-15-8-10-19(11-9-15)13-16-6-5-7-17(12-16)14-20-18(2,3)4;1-17(2,3)20-12-13-6-5-7-15(10-13)21-16-9-8-14(18-4)11-19-16;1-17(2,3)20-12-13-6-5-7-14(10-13)21-15-8-9-16(18-4)19-11-15;1-17(2,3)20-12-13-6-5-7-14(10-13)21-15-8-9-16(19-4)18-11-15;1-17(2,3)19-14-16-9-7-8-15(12-16)13-18-10-5-4-6-11-18/h6-8,15,20,24H,9-14,16-17H2,1-5H3;5,7-8,15,20H,6,9-14,16-17H2,1-4H3;5-7,12,17H,8-11,13-14H2,1-3H3;8-12,17H,5-7,13H2,1-3H3;5-7,12,15H,8-11,13-14H2,1-4H3;8-11,15H,5-7,12H2,1-3H3;8-11,14H,5-7,12H2,1-3H3;8-11,14H,5-7,12H2,1-4H3;7-9,12H,4-6,10-11,13-14H2,1-3H3
InChIKeyJWUZDVDUFFRESD-UHFFFAOYSA-N
XLogP36.95
TPSA274.36 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds46
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002733.91
LogP ≤ 536.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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 with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[[3-[[4-(3-Hydroxy-3-methylbutoxy)piperidin-1-yl]methyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-(4-isocyanophenoxy)cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(4-isocyanopiperidin-1-yl)methyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(6-isocyano-3-pyridinyl)oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[4-(3-methylsulfonylpropoxy)piperidin-1-yl]methyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 157111478
5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;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-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
CID 158326558
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
5-tert-butyl-2-(2-methoxyethoxy)pyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine
CID 159237123
4-Isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-4-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;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 159696492
1-Isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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;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 160386914
5-[4-[[3-[[4-(3-Hydroxy-3-methylbutoxy)piperidin-1-yl]methyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-(4-isocyanophenoxy)cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(4-isocyanopiperidin-1-yl)methyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(5-isocyano-2-pyridinyl)oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(6-isocyano-3-pyridinyl)oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(6-methoxy-3-pyridinyl)oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[4-(3-methylsulfonylpropoxy)piperidin-1-yl]methyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 160884613
5-[4-[[3-[[6-(3-Hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[4-(3-hydroxy-3-methylbutoxy)piperidin-1-yl]methyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-(4-isocyanophenoxy)cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(4-isocyanopiperidin-1-yl)methyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(6-isocyano-3-pyridinyl)oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[4-(3-methylsulfonylpropoxy)piperidin-1-yl]methyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[3-(piperidin-1-ylmethyl)phenyl]methoxy]phenyl]-1,2-thiazol-3-one
CID 162148853

Frequently Asked Questions

What is the IUPAC name of 1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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 1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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 159047343) is 1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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 1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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 1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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.COc1ccc(OC2C=C(COC(C)(C)C)CCC2)cn1.[C-]#[N+]C1CCN(Cc2cccc(COC(C)(C)C)c2)CC1.[C-]#[N+]c1ccc(OC2C=C(COC(C)(C)C)CCC2)cc1.[C-]#[N+]c1ccc(OC2C=C(COC(C)(C)C)CCC2)cn1.[C-]#[N+]c1ccc(OC2C=C(COC(C)(C)C)CCC2)nc1.
What is the InChIKey of 1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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 JWUZDVDUFFRESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3.C21H35NO4S.C18H26N2O.C18H23NO2.C18H29NO.2C17H22N2O2.C17H25NO3.C17H27NO/c1-21(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;1-21(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;1-18(2,3)20-13-14-6-5-7-17(12-14)21-16-10-8-15(19-4)9-11-16;1-15-8-10-19(11-9-15)13-16-6-5-7-17(12-16)14-20-18(2,3)4;1-17(2,3)20-12-13-6-5-7-15(10-13)21-16-9-8-14(18-4)11-19-16;1-17(2,3)20-12-13-6-5-7-14(10-13)21-15-8-9-16(18-4)19-11-15;1-17(2,3)20-12-13-6-5-7-14(10-13)21-15-8-9-16(19-4)18-11-15;1-17(2,3)19-14-16-9-7-8-15(12-16)13-18-10-5-4-6-11-18/h6-8,15,20,24H,9-14,16-17H2,1-5H3;5,7-8,15,20H,6,9-14,16-17H2,1-4H3;5-7,12,17H,8-11,13-14H2,1-3H3;8-12,17H,5-7,13H2,1-3H3;5-7,12,15H,8-11,13-14H2,1-4H3;8-11,15H,5-7,12H2,1-3H3;8-11,14H,5-7,12H2,1-3H3;8-11,14H,5-7,12H2,1-4H3;7-9,12H,4-6,10-11,13-14H2,1-3H3.
What are the key properties of 1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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?
1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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 2733.91 g/mol, XLogP of 36.95, 46 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyano-4-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxybenzene;2-isocyano-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;5-isocyano-2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;4-isocyano-1-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]piperidine;2-methoxy-5-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohex-2-en-1-yl]oxypyridine;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 159047343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).