4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole

C160H246F3N15O11S — CID 158067148

IUPAC4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole
SMILESCC(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1.CC(C)(C)c1cccc(CN2CCN(CCO)CC2)c1.CC(C)(C)c1cccc(OC2CCNC2)c1.CN(C)C(=O)CCCc1cccc(C(C)(C)C)c1.CN1CCC(Cc2cccc(C(C)(C)C)c2)C1.CN1CCN(Cc2cccc(C(C)(C)C)c2)C(CO)C1.COCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H30N2O.C17H24F3NO.2C17H28N2O.C17H25NO2.C16H25NO3S.C16H25NO.C16H25N.C14H21NO.C12H15N3/c1-18(2,3)17-7-5-6-16(14-17)15-20-10-8-19(9-11-20)12-13-21-4;1-16(2,3)13-4-6-14(7-5-13)22-15-8-10-21(11-9-15)12-17(18,19)20;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)12-16(19)13-20;1-17(2,3)16-6-4-5-15(13-16)14-19-9-7-18(8-10-19)11-12-20;1-13(19)18-11-9-16(10-12-18)20-15-7-5-14(6-8-15)17(2,3)4;1-16(2,3)13-5-7-14(8-6-13)20-15-9-11-17(12-10-15)21(4,18)19;1-16(2,3)14-10-6-8-13(12-14)9-7-11-15(18)17(4)5;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(4)12-14;1-14(2,3)11-5-4-6-12(9-11)16-13-7-8-15-10-13;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15/h5-7,14H,8-13,15H2,1-4H3;4-7,15H,8-12H2,1-3H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;4-6,13,20H,7-12,14H2,1-3H3;5-8,16H,9-12H2,1-4H3;5-8,15H,9-12H2,1-4H3;6,8,10,12H,7,9,11H2,1-5H3;5-7,11,14H,8-10,12H2,1-4H3;4-6,9,13,15H,7-8,10H2,1-3H3;4-9H,1-3H3
InChIKeyFLJGEIBZELVJIR-UHFFFAOYSA-N
MW2644.88 g/mol
LogP29.65
Rot. Bonds29

About 4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole

4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole (PubChem CID 158067148) has the molecular formula C160H246F3N15O11S and a molecular weight of 2644.88 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole
PubChem CID158067148
Molecular FormulaC160H246F3N15O11S
Molecular Weight2644.88 g/mol
Exact Mass2642.88
IUPAC Name4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole
SMILESCC(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1.CC(C)(C)c1cccc(CN2CCN(CCO)CC2)c1.CC(C)(C)c1cccc(OC2CCNC2)c1.CN(C)C(=O)CCCc1cccc(C(C)(C)C)c1.CN1CCC(Cc2cccc(C(C)(C)C)c2)C1.CN1CCN(Cc2cccc(C(C)(C)C)c2)C(CO)C1.COCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H30N2O.C17H24F3NO.2C17H28N2O.C17H25NO2.C16H25NO3S.C16H25NO.C16H25N.C14H21NO.C12H15N3/c1-18(2,3)17-7-5-6-16(14-17)15-20-10-8-19(9-11-20)12-13-21-4;1-16(2,3)13-4-6-14(7-5-13)22-15-8-10-21(11-9-15)12-17(18,19)20;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)12-16(19)13-20;1-17(2,3)16-6-4-5-15(13-16)14-19-9-7-18(8-10-19)11-12-20;1-13(19)18-11-9-16(10-12-18)20-15-7-5-14(6-8-15)17(2,3)4;1-16(2,3)13-5-7-14(8-6-13)20-15-9-11-17(12-10-15)21(4,18)19;1-16(2,3)14-10-6-8-13(12-14)9-7-11-15(18)17(4)5;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(4)12-14;1-14(2,3)11-5-4-6-12(9-11)16-13-7-8-15-10-13;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15/h5-7,14H,8-13,15H2,1-4H3;4-7,15H,8-12H2,1-3H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;4-6,13,20H,7-12,14H2,1-3H3;5-8,16H,9-12H2,1-4H3;5-8,15H,9-12H2,1-4H3;6,8,10,12H,7,9,11H2,1-5H3;5-7,11,14H,8-10,12H2,1-4H3;4-6,9,13,15H,7-8,10H2,1-3H3;4-9H,1-3H3
InChIKeyFLJGEIBZELVJIR-UHFFFAOYSA-N
XLogP29.65
TPSA233.27 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002644.88
LogP ≤ 529.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole with MolForge

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Related Compounds

4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole
CID 159526756
3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 159880860
4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 160595346
3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine
CID 161439052
3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;4-(3-tert-butyl-4-methylphenyl)oxane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 159695238
4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 158333276
4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 158867438
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 157493374
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl-methylamino]propan-2-one;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine;methane
CID 157271261
1-[3-[4-[2,5-dimethyl-5-[4-(1-methylsulfonylpyrrolidin-3-yl)oxyphenyl]hexan-2-yl]phenoxy]pyrrolidin-1-yl]ethanone
CID 130267524
2-tert-butyl-4-fluoro-1H-indene;4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 158260400
1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 157265022

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole (CID 158067148) is 4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole is CC(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1.CC(C)(C)c1cccc(CN2CCN(CCO)CC2)c1.CC(C)(C)c1cccc(OC2CCNC2)c1.CN(C)C(=O)CCCc1cccc(C(C)(C)C)c1.CN1CCC(Cc2cccc(C(C)(C)C)c2)C1.CN1CCN(Cc2cccc(C(C)(C)C)c2)C(CO)C1.COCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole?
The InChIKey is FLJGEIBZELVJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.C17H24F3NO.2C17H28N2O.C17H25NO2.C16H25NO3S.C16H25NO.C16H25N.C14H21NO.C12H15N3/c1-18(2,3)17-7-5-6-16(14-17)15-20-10-8-19(9-11-20)12-13-21-4;1-16(2,3)13-4-6-14(7-5-13)22-15-8-10-21(11-9-15)12-17(18,19)20;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)12-16(19)13-20;1-17(2,3)16-6-4-5-15(13-16)14-19-9-7-18(8-10-19)11-12-20;1-13(19)18-11-9-16(10-12-18)20-15-7-5-14(6-8-15)17(2,3)4;1-16(2,3)13-5-7-14(8-6-13)20-15-9-11-17(12-10-15)21(4,18)19;1-16(2,3)14-10-6-8-13(12-14)9-7-11-15(18)17(4)5;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(4)12-14;1-14(2,3)11-5-4-6-12(9-11)16-13-7-8-15-10-13;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15/h5-7,14H,8-13,15H2,1-4H3;4-7,15H,8-12H2,1-3H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;4-6,13,20H,7-12,14H2,1-3H3;5-8,16H,9-12H2,1-4H3;5-8,15H,9-12H2,1-4H3;6,8,10,12H,7,9,11H2,1-5H3;5-7,11,14H,8-10,12H2,1-4H3;4-6,9,13,15H,7-8,10H2,1-3H3;4-9H,1-3H3.
What are the key properties of 4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole?
4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole has a molecular weight of 2644.88 g/mol, XLogP of 29.65, 29 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole is sourced from PubChem (CID 158067148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).