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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine

C147H217F3N14O9S — CID 160553366

IUPAC3-(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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine
SMILESCC(=O)CN(C)Cc1cccc(C(C)(C)C)c1.CC(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)C2)cc1.CC(C)(C)c1ccc(OC2CCN(S(C)(=O)=O)C2)cc1.CC(C)(C)c1ccnc(CC2CCNCC2)c1.CC(C)(C)c1ccnc(CCc2ccccn2)c1.CC(C)(C)c1ccnc(CCc2cccnc2)c1.CC(C)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CN(C)C(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C21H35N3O.C17H27NO.C16H22F3NO.2C16H20N2.C16H23NO2.C15H24N2.C15H23NO3S.C15H23NO/c1-21(2,3)19-9-6-8-18(16-19)17-24-14-12-23(13-15-24)11-7-10-20(25)22(4)5;1-13(2)18-11-10-16(12-18)19-15-8-6-14(7-9-15)17(3,4)5;1-15(2,3)12-4-6-13(7-5-12)21-14-8-9-20(10-14)11-16(17,18)19;1-16(2,3)14-8-10-18-15(11-14)7-6-13-5-4-9-17-12-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-12(18)17-10-9-15(11-17)19-14-7-5-13(6-8-14)16(2,3)4;1-15(2,3)13-6-9-17-14(11-13)10-12-4-7-16-8-5-12;1-15(2,3)12-5-7-13(8-6-12)19-14-9-10-16(11-14)20(4,17)18;1-12(17)10-16(5)11-13-7-6-8-14(9-13)15(2,3)4/h6,8-9,16H,7,10-15,17H2,1-5H3;6-9,13,16H,10-12H2,1-5H3;4-7,14H,8-11H2,1-3H3;4-5,8-12H,6-7H2,1-3H3;4-6,9-12H,7-8H2,1-3H3;5-8,15H,9-11H2,1-4H3;6,9,11-12,16H,4-5,7-8,10H2,1-3H3;5-8,14H,9-11H2,1-4H3;6-9H,10-11H2,1-5H3
InChIKeyQYJBBLWQAGTNJV-UHFFFAOYSA-N
MW2413.50 g/mol
LogP29.24
Rot. Bonds29

About 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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine

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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine (PubChem CID 160553366) has the molecular formula C147H217F3N14O9S and a molecular weight of 2413.50 g/mol. Its IUPAC name is 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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine.

Molecular Properties

Compound Name3-(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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine
PubChem CID160553366
Molecular FormulaC147H217F3N14O9S
Molecular Weight2413.50 g/mol
Exact Mass2411.66
IUPAC Name3-(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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine
SMILESCC(=O)CN(C)Cc1cccc(C(C)(C)C)c1.CC(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)C2)cc1.CC(C)(C)c1ccc(OC2CCN(S(C)(=O)=O)C2)cc1.CC(C)(C)c1ccnc(CC2CCNCC2)c1.CC(C)(C)c1ccnc(CCc2ccccn2)c1.CC(C)(C)c1ccnc(CCc2cccnc2)c1.CC(C)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CN(C)C(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C21H35N3O.C17H27NO.C16H22F3NO.2C16H20N2.C16H23NO2.C15H24N2.C15H23NO3S.C15H23NO/c1-21(2,3)19-9-6-8-18(16-19)17-24-14-12-23(13-15-24)11-7-10-20(25)22(4)5;1-13(2)18-11-10-16(12-18)19-15-8-6-14(7-9-15)17(3,4)5;1-15(2,3)12-4-6-13(7-5-12)21-14-8-9-20(10-14)11-16(17,18)19;1-16(2,3)14-8-10-18-15(11-14)7-6-13-5-4-9-17-12-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-12(18)17-10-9-15(11-17)19-14-7-5-13(6-8-14)16(2,3)4;1-15(2,3)13-6-9-17-14(11-13)10-12-4-7-16-8-5-12;1-15(2,3)12-5-7-13(8-6-12)19-14-9-10-16(11-14)20(4,17)18;1-12(17)10-16(5)11-13-7-6-8-14(9-13)15(2,3)4/h6,8-9,16H,7,10-15,17H2,1-5H3;6-9,13,16H,10-12H2,1-5H3;4-7,14H,8-11H2,1-3H3;4-5,8-12H,6-7H2,1-3H3;4-6,9-12H,7-8H2,1-3H3;5-8,15H,9-11H2,1-4H3;6,9,11-12,16H,4-5,7-8,10H2,1-3H3;5-8,14H,9-11H2,1-4H3;6-9H,10-11H2,1-5H3
InChIKeyQYJBBLWQAGTNJV-UHFFFAOYSA-N
XLogP29.24
TPSA224.67 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002413.50
LogP ≤ 529.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine with MolForge

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Related Compounds

4-Tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;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-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157238991
4-Tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(4-methylsulfonylcyclohexyl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)
CID 157475844
4-Tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(3-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;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157594468
4-Tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158100387
CID 158245203
CID 158245203
CID 158309969
CID 158309969
1-[4-(1-acetylpyrrolidin-3-yl)oxyphenyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-[[methyl(2-oxopropyl)amino]methyl]phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylsulfonylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(piperidin-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-propan-2-ylpyrrolidin-3-yl)oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxybenzamide
CID 158376787
4-Tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)
CID 158389532
4-tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;6-(3-tert-butylphenoxy)hexan-2-one;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;(3R)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;4-tert-butyl-2-piperidin-4-yloxypyridine;N-(4-tert-butyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158927326
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-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine
CID 158943256
3-(4-Tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 159171472
4-Tert-butyl-2-[(1-methylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;5-(3-tert-butylphenoxy)pentanamide;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;bis(4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine)
CID 159281873

Frequently Asked Questions

What is the IUPAC name of 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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine?
The IUPAC name of 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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine (CID 160553366) is 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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine.
What is the SMILES notation for 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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine?
The canonical SMILES for 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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine is CC(=O)CN(C)Cc1cccc(C(C)(C)C)c1.CC(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)C2)cc1.CC(C)(C)c1ccc(OC2CCN(S(C)(=O)=O)C2)cc1.CC(C)(C)c1ccnc(CC2CCNCC2)c1.CC(C)(C)c1ccnc(CCc2ccccn2)c1.CC(C)(C)c1ccnc(CCc2cccnc2)c1.CC(C)N1CCC(Oc2ccc(C(C)(C)C)cc2)C1.CN(C)C(=O)CCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of 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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine?
The InChIKey is QYJBBLWQAGTNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O.C17H27NO.C16H22F3NO.2C16H20N2.C16H23NO2.C15H24N2.C15H23NO3S.C15H23NO/c1-21(2,3)19-9-6-8-18(16-19)17-24-14-12-23(13-15-24)11-7-10-20(25)22(4)5;1-13(2)18-11-10-16(12-18)19-15-8-6-14(7-9-15)17(3,4)5;1-15(2,3)12-4-6-13(7-5-12)21-14-8-9-20(10-14)11-16(17,18)19;1-16(2,3)14-8-10-18-15(11-14)7-6-13-5-4-9-17-12-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-12(18)17-10-9-15(11-17)19-14-7-5-13(6-8-14)16(2,3)4;1-15(2,3)13-6-9-17-14(11-13)10-12-4-7-16-8-5-12;1-15(2,3)12-5-7-13(8-6-12)19-14-9-10-16(11-14)20(4,17)18;1-12(17)10-16(5)11-13-7-6-8-14(9-13)15(2,3)4/h6,8-9,16H,7,10-15,17H2,1-5H3;6-9,13,16H,10-12H2,1-5H3;4-7,14H,8-11H2,1-3H3;4-5,8-12H,6-7H2,1-3H3;4-6,9-12H,7-8H2,1-3H3;5-8,15H,9-11H2,1-4H3;6,9,11-12,16H,4-5,7-8,10H2,1-3H3;5-8,14H,9-11H2,1-4H3;6-9H,10-11H2,1-5H3.
What are the key properties of 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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine?
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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine has a molecular weight of 2413.50 g/mol, XLogP of 29.24, 29 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine is sourced from PubChem (CID 160553366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).