1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone

C119H178F4N10O14 — CID 162202631

IUPAC1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)CC2CCN(C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(F)(F)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1C(C)(C)C
InChIInChI=1S/C22H35N3O2.C21H31FN2O3.C21H32N2O3.C19H28FNO2.C19H29NO2.C17H23F2NO2/c1-22(2,3)19-7-6-17(16-20(19)27-5)21(26)25-10-8-18(9-11-25)24-14-12-23(4)13-15-24;1-21(2,3)17-14-18(22)16(13-19(17)26-4)20(25)24-7-5-15(6-8-24)23-9-11-27-12-10-23;1-21(2,3)18-6-5-16(15-19(18)25-4)20(24)23-9-7-17(8-10-23)22-11-13-26-14-12-22;1-19(2,3)15-12-16(20)14(11-18(15)23-5)17(22)10-13-6-8-21(4)9-7-13;1-19(2,3)16-7-6-15(13-18(16)22-5)17(21)12-14-8-10-20(4)11-9-14;1-16(2,3)13-6-5-12(11-14(13)22-4)15(21)20-9-7-17(18,19)8-10-20/h6-7,16,18H,8-15H2,1-5H3;13-15H,5-12H2,1-4H3;5-6,15,17H,7-14H2,1-4H3;11-13H,6-10H2,1-5H3;6-7,13-14H,8-12H2,1-5H3;5-6,11H,7-10H2,1-4H3
InChIKeyZRUBJBBRFUCNEB-UHFFFAOYSA-N
MW2048.78 g/mol
LogP20.66
Rot. Bonds19

About 1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone

1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 162202631) has the molecular formula C119H178F4N10O14 and a molecular weight of 2048.78 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID162202631
Molecular FormulaC119H178F4N10O14
Molecular Weight2048.78 g/mol
Exact Mass2047.35
IUPAC Name1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)CC2CCN(C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(F)(F)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1C(C)(C)C
InChIInChI=1S/C22H35N3O2.C21H31FN2O3.C21H32N2O3.C19H28FNO2.C19H29NO2.C17H23F2NO2/c1-22(2,3)19-7-6-17(16-20(19)27-5)21(26)25-10-8-18(9-11-25)24-14-12-23(4)13-15-24;1-21(2,3)17-14-18(22)16(13-19(17)26-4)20(25)24-7-5-15(6-8-24)23-9-11-27-12-10-23;1-21(2,3)18-6-5-16(15-19(18)25-4)20(24)23-9-7-17(8-10-23)22-11-13-26-14-12-22;1-19(2,3)15-12-16(20)14(11-18(15)23-5)17(22)10-13-6-8-21(4)9-7-13;1-19(2,3)16-7-6-15(13-18(16)22-5)17(21)12-14-8-10-20(4)11-9-14;1-16(2,3)13-6-5-12(11-14(13)22-4)15(21)20-9-7-17(18,19)8-10-20/h6-7,16,18H,8-15H2,1-5H3;13-15H,5-12H2,1-4H3;5-6,15,17H,7-14H2,1-4H3;11-13H,6-10H2,1-5H3;6-7,13-14H,8-12H2,1-5H3;5-6,11H,7-10H2,1-4H3
InChIKeyZRUBJBBRFUCNEB-UHFFFAOYSA-N
XLogP20.66
TPSA208.66 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002048.78
LogP ≤ 520.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-Tert-butyl-2-fluoro-5-methoxyphenyl)-[2-[2-[4-fluoro-3-(4-methylpiperazine-1-carbonyl)phenyl]-2-methylpropyl]morpholin-4-yl]methanone
CID 146658498
N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;5-fluoro-N-[4-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-2-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]benzamide;5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide;N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 157526491
2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-(2,2-dimethylpropoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-ethoxyphenyl)-phenylmethyl]cyclohexyl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-phenylmethyl]piperazin-1-yl]ethanone)
CID 158027974
3-(2,5-dimethoxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;(2,3-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(2,4-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(2,5-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3,4-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3,5-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-(5-methyl-2-phenylhexyl)-4-propan-2-ylpiperazine;1-[(E)-4-methyl-2-phenylpent-2-enyl]-4-propan-2-ylpiperazine;2-phenylmethoxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone;3-phenyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;(4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 158121030
(2S)-1-(4-acetylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-acetylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-morpholin-4-ylpentan-3-one
CID 158429116
(2,3-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(2,4-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(2,5-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3,4-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3,5-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;3-(2-hydroxy-5-methoxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(5-methyl-2-phenylhexyl)-4-propan-2-ylpiperazine;1-[(E)-4-methyl-2-phenylpent-2-enyl]-4-propan-2-ylpiperazine;2-phenylmethoxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone;3-phenyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;(4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 158913005
(2,3-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(2,4-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(2,5-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3,4-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3,5-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-[(E)-5-methyl-2-phenylhex-2-enyl]-4-propan-2-ylpiperazine;1-[(E)-4-methyl-2-phenylpent-2-enyl]-4-propan-2-ylpiperazine;2-phenylmethoxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone;3-phenyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;(4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone;(4-propan-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 159654036
bis([(9aS)-6-(2,3-dimethyl-4-propoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone);[(9aS)-6-[4-[4-[2-hydroxyethyl(methyl)amino]butoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 159982748
N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide;4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide;N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 160034680
3-(2,5-dimethoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;(2,3-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone;(2,4-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone;(2,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone;(3,4-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone;(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone;1-[(E)-5-methyl-2-phenylhex-2-enyl]-4-propan-2-ylpiperidine;1-[(E)-4-methyl-2-phenylpent-2-enyl]-4-propan-2-ylpiperidine;2-phenylmethoxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3-phenyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 160668870
tris(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]piperazin-1-yl]ethanone);bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(2-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone)
CID 160766798
(2,3-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(2,4-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(2,5-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3,4-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3,5-dimethylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;1-[(E)-5-methyl-2-phenylhex-2-enyl]-4-propan-2-ylpiperazine;1-[(E)-4-methyl-2-phenylpent-2-enyl]-4-propan-2-ylpiperazine;(4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone;(4-propan-2-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(4-propan-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 160788063

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of 1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 162202631) is 1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone is COc1cc(C(=O)CC2CCN(C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(F)(F)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is ZRUBJBBRFUCNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.C21H31FN2O3.C21H32N2O3.C19H28FNO2.C19H29NO2.C17H23F2NO2/c1-22(2,3)19-7-6-17(16-20(19)27-5)21(26)25-10-8-18(9-11-25)24-14-12-23(4)13-15-24;1-21(2,3)17-14-18(22)16(13-19(17)26-4)20(25)24-7-5-15(6-8-24)23-9-11-27-12-10-23;1-21(2,3)18-6-5-16(15-19(18)25-4)20(24)23-9-7-17(8-10-23)22-11-13-26-14-12-22;1-19(2,3)15-12-16(20)14(11-18(15)23-5)17(22)10-13-6-8-21(4)9-7-13;1-19(2,3)16-7-6-15(13-18(16)22-5)17(21)12-14-8-10-20(4)11-9-14;1-16(2,3)13-6-5-12(11-14(13)22-4)15(21)20-9-7-17(18,19)8-10-20/h6-7,16,18H,8-15H2,1-5H3;13-15H,5-12H2,1-4H3;5-6,15,17H,7-14H2,1-4H3;11-13H,6-10H2,1-5H3;6-7,13-14H,8-12H2,1-5H3;5-6,11H,7-10H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone?
1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 2048.78 g/mol, XLogP of 20.66, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-2-fluoro-5-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;1-(4-tert-butyl-3-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 162202631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).