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

C173H256N10O24S2 — CID 159696492

IUPAC4-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
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.COc1cc(Oc2cccc(COC(C)(C)C)c2)ccn1.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
InChIInChI=1S/C22H31NO4.C22H37NO3.C21H29NO5S.C21H35NO4S.C18H26N2O.C18H29NO.C17H21NO3.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;1-17(2,3)20-12-13-6-5-7-14(10-13)21-15-8-9-18-16(11-15)19-4;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;5-11H,12H2,1-4H3;7-9,12H,4-6,10-11,13-14H2,1-3H3
InChIKeyMXBPCVNEVVOHBR-UHFFFAOYSA-N
MW2924.13 g/mol
LogP37.71
Rot. Bonds55

About 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

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 (PubChem CID 159696492) has the molecular formula C173H256N10O24S2 and a molecular weight of 2924.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159696492
Molecular FormulaC173H256N10O24S2
Molecular Weight2924.13 g/mol
Exact Mass2921.86
IUPAC Name4-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
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.COc1cc(Oc2cccc(COC(C)(C)C)c2)ccn1.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
InChIInChI=1S/C22H31NO4.C22H37NO3.C21H29NO5S.C21H35NO4S.C18H26N2O.C18H29NO.C17H21NO3.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;1-17(2,3)20-12-13-6-5-7-14(10-13)21-15-8-9-18-16(11-15)19-4;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;5-11H,12H2,1-4H3;7-9,12H,4-6,10-11,13-14H2,1-3H3
InChIKeyMXBPCVNEVVOHBR-UHFFFAOYSA-N
XLogP37.71
TPSA347.00 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds55
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002924.13
LogP ≤ 537.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
5-[4-[[3-(3-Isocyanophenoxy)phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(6-methoxy-3-pyridinyl)oxy]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(2-methyl-3-pyridinyl)oxy]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 159067835
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
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
4-[(E)-but-1-enyl]-2-(cyclohexylmethoxy)pyridine;1-[5-[(E)-2-cyclohexylethenyl]-3-pyridinyl]butan-1-ol;1-[6-[(E)-2-cyclohexylethenyl]-2-pyridinyl]butan-1-ol;1-[5-(2-cyclohexylethyl)-3-pyridinyl]butan-1-ol;1-[6-(2-cyclohexylethyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[2-(cyclohexylmethoxy)-4-pyridinyl]butan-1-ol;1-[4-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;1-[6-(cyclohexylmethoxy)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(cyclohexylmethylsulfanyl)-2-pyridinyl]butan-1-ol;(1R)-1-[6-(2-propylpentoxy)-2-pyridinyl]butan-1-ol
CID 160741034
1-Isocyano-3-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]benzene;2-methoxy-4-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine;2-methoxy-5-[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;2-methyl-5-[3-[(2-methylpropan-2-yl)oxymethyl]phenoxy]pyridine
CID 161782375
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.COc1cc(Oc2cccc(COC(C)(C)C)c2)ccn1.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-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?
The InChIKey is MXBPCVNEVVOHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4.C22H37NO3.C21H29NO5S.C21H35NO4S.C18H26N2O.C18H29NO.C17H21NO3.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;1-17(2,3)20-12-13-6-5-7-14(10-13)21-15-8-9-18-16(11-15)19-4;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;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-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?
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 has a molecular weight of 2924.13 g/mol, XLogP of 37.71, 55 rotatable bonds, 2 hydrogen bond donors, and 33 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-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 is sourced from PubChem (CID 159696492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).