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

C195H288F3N11O13 — CID 160668870

IUPAC3-(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
SMILESCC(C)/C=C(/CN1CCC(C(C)C)CC1)c1ccccc1.CC(C)C/C=C(/CN1CCC(C(C)C)CC1)c1ccccc1.CC(C)C1CCN(C(=O)CCc2ccccc2)CC1.CC(C)C1CCN(C(=O)COCc2ccccc2)CC1.CC(C)C1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1.COc1ccc(OC)c(CCC(=O)N2CCC(C(C)C)CC2)c1.Cc1cc(C)cc(C(=O)N2CCC(C(C)C)CC2)c1.Cc1ccc(C(=O)N2CCC(C(C)C)CC2)c(C)c1.Cc1ccc(C(=O)N2CCC(C(C)C)CC2)cc1C.Cc1ccc(C)c(C(=O)N2CCC(C(C)C)CC2)c1.Cc1cccc(C(=O)N2CCC(C(C)C)CC2)c1C
InChIInChI=1S/C21H33N.C20H31N.C19H29NO3.C17H25NO2.6C17H25NO.C16H20F3NO2/c1-17(2)10-11-21(20-8-6-5-7-9-20)16-22-14-12-19(13-15-22)18(3)4;1-16(2)14-20(19-8-6-5-7-9-19)15-21-12-10-18(11-13-21)17(3)4;1-14(2)15-9-11-20(12-10-15)19(21)8-5-16-13-17(22-3)6-7-18(16)23-4;1-14(2)16-8-10-18(11-9-16)17(19)13-20-12-15-6-4-3-5-7-15;1-12(2)15-5-7-18(8-6-15)17(19)16-10-13(3)9-14(4)11-16;1-12(2)15-7-9-18(10-8-15)17(19)16-6-5-13(3)14(4)11-16;1-12(2)15-7-9-18(10-8-15)17(19)16-6-5-13(3)11-14(16)4;1-12(2)15-7-9-18(10-8-15)17(19)16-11-13(3)5-6-14(16)4;1-12(2)15-8-10-18(11-9-15)17(19)16-7-5-6-13(3)14(16)4;1-14(2)16-10-12-18(13-11-16)17(19)9-8-15-6-4-3-5-7-15;1-11(2)12-6-8-20(9-7-12)15(21)13-4-3-5-14(10-13)22-16(17,18)19/h5-9,11,17-19H,10,12-16H2,1-4H3;5-9,14,16-18H,10-13,15H2,1-4H3;6-7,13-15H,5,8-12H2,1-4H3;3-7,14,16H,8-13H2,1-2H3;9-12,15H,5-8H2,1-4H3;3*5-6,11-12,15H,7-10H2,1-4H3;5-7,12,15H,8-11H2,1-4H3;3-7,14,16H,8-13H2,1-2H3;3-5,10-12H,6-9H2,1-2H3/b21-11-;20-14-;;;;;;;;;
InChIKeyRMQZHXOEDWKZQX-FSRUYPKJSA-N
MW3051.51 g/mol
LogP43.87
Rot. Bonds39

About 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

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 (PubChem CID 160668870) has the molecular formula C195H288F3N11O13 and a molecular weight of 3051.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID160668870
Molecular FormulaC195H288F3N11O13
Molecular Weight3051.51 g/mol
Exact Mass3049.22
IUPAC Name3-(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
SMILESCC(C)/C=C(/CN1CCC(C(C)C)CC1)c1ccccc1.CC(C)C/C=C(/CN1CCC(C(C)C)CC1)c1ccccc1.CC(C)C1CCN(C(=O)CCc2ccccc2)CC1.CC(C)C1CCN(C(=O)COCc2ccccc2)CC1.CC(C)C1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1.COc1ccc(OC)c(CCC(=O)N2CCC(C(C)C)CC2)c1.Cc1cc(C)cc(C(=O)N2CCC(C(C)C)CC2)c1.Cc1ccc(C(=O)N2CCC(C(C)C)CC2)c(C)c1.Cc1ccc(C(=O)N2CCC(C(C)C)CC2)cc1C.Cc1ccc(C)c(C(=O)N2CCC(C(C)C)CC2)c1.Cc1cccc(C(=O)N2CCC(C(C)C)CC2)c1C
InChIInChI=1S/C21H33N.C20H31N.C19H29NO3.C17H25NO2.6C17H25NO.C16H20F3NO2/c1-17(2)10-11-21(20-8-6-5-7-9-20)16-22-14-12-19(13-15-22)18(3)4;1-16(2)14-20(19-8-6-5-7-9-19)15-21-12-10-18(11-13-21)17(3)4;1-14(2)15-9-11-20(12-10-15)19(21)8-5-16-13-17(22-3)6-7-18(16)23-4;1-14(2)16-8-10-18(11-9-16)17(19)13-20-12-15-6-4-3-5-7-15;1-12(2)15-5-7-18(8-6-15)17(19)16-10-13(3)9-14(4)11-16;1-12(2)15-7-9-18(10-8-15)17(19)16-6-5-13(3)14(4)11-16;1-12(2)15-7-9-18(10-8-15)17(19)16-6-5-13(3)11-14(16)4;1-12(2)15-7-9-18(10-8-15)17(19)16-11-13(3)5-6-14(16)4;1-12(2)15-8-10-18(11-9-15)17(19)16-7-5-6-13(3)14(16)4;1-14(2)16-10-12-18(13-11-16)17(19)9-8-15-6-4-3-5-7-15;1-11(2)12-6-8-20(9-7-12)15(21)13-4-3-5-14(10-13)22-16(17,18)19/h5-9,11,17-19H,10,12-16H2,1-4H3;5-9,14,16-18H,10-13,15H2,1-4H3;6-7,13-15H,5,8-12H2,1-4H3;3-7,14,16H,8-13H2,1-2H3;9-12,15H,5-8H2,1-4H3;3*5-6,11-12,15H,7-10H2,1-4H3;5-7,12,15H,8-11H2,1-4H3;3-7,14,16H,8-13H2,1-2H3;3-5,10-12H,6-9H2,1-2H3/b21-11-;20-14-;;;;;;;;;
InChIKeyRMQZHXOEDWKZQX-FSRUYPKJSA-N
XLogP43.87
TPSA226.19 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds39
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003051.51
LogP ≤ 543.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

[2,2-Dimethyl-7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydrobenzo[h]chromen-5-yl]-morpholin-4-ylmethanone
CID 162620905
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
(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
(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
(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;(4-propan-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 161913098
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
(4-Tert-butyl-2-fluoro-5-hydroxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-hydroxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;(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;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 163607076
[4-[4-(2-Piperidin-1-ylethoxy)phenoxy]naphthalen-1-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 168866170
bis[5,8-dimethoxy-2-[[1-(3-methylbenzoyl)piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl] (E)-but-2-enedioate
CID 88603112
6-[4-[(S)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one;6-[4-[(R)-(4-fluorophenyl)-(4-methylphenyl)methyl]piperidine-1-carbonyl]-4H-chromen-3-one
CID 158561061

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)/C=C(/CN1CCC(C(C)C)CC1)c1ccccc1.CC(C)C/C=C(/CN1CCC(C(C)C)CC1)c1ccccc1.CC(C)C1CCN(C(=O)CCc2ccccc2)CC1.CC(C)C1CCN(C(=O)COCc2ccccc2)CC1.CC(C)C1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1.COc1ccc(OC)c(CCC(=O)N2CCC(C(C)C)CC2)c1.Cc1cc(C)cc(C(=O)N2CCC(C(C)C)CC2)c1.Cc1ccc(C(=O)N2CCC(C(C)C)CC2)c(C)c1.Cc1ccc(C(=O)N2CCC(C(C)C)CC2)cc1C.Cc1ccc(C)c(C(=O)N2CCC(C(C)C)CC2)c1.Cc1cccc(C(=O)N2CCC(C(C)C)CC2)c1C.
What is the InChIKey of 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?
The InChIKey is RMQZHXOEDWKZQX-FSRUYPKJSA-N. The full InChI is InChI=1S/C21H33N.C20H31N.C19H29NO3.C17H25NO2.6C17H25NO.C16H20F3NO2/c1-17(2)10-11-21(20-8-6-5-7-9-20)16-22-14-12-19(13-15-22)18(3)4;1-16(2)14-20(19-8-6-5-7-9-19)15-21-12-10-18(11-13-21)17(3)4;1-14(2)15-9-11-20(12-10-15)19(21)8-5-16-13-17(22-3)6-7-18(16)23-4;1-14(2)16-8-10-18(11-9-16)17(19)13-20-12-15-6-4-3-5-7-15;1-12(2)15-5-7-18(8-6-15)17(19)16-10-13(3)9-14(4)11-16;1-12(2)15-7-9-18(10-8-15)17(19)16-6-5-13(3)14(4)11-16;1-12(2)15-7-9-18(10-8-15)17(19)16-6-5-13(3)11-14(16)4;1-12(2)15-7-9-18(10-8-15)17(19)16-11-13(3)5-6-14(16)4;1-12(2)15-8-10-18(11-9-15)17(19)16-7-5-6-13(3)14(16)4;1-14(2)16-10-12-18(13-11-16)17(19)9-8-15-6-4-3-5-7-15;1-11(2)12-6-8-20(9-7-12)15(21)13-4-3-5-14(10-13)22-16(17,18)19/h5-9,11,17-19H,10,12-16H2,1-4H3;5-9,14,16-18H,10-13,15H2,1-4H3;6-7,13-15H,5,8-12H2,1-4H3;3-7,14,16H,8-13H2,1-2H3;9-12,15H,5-8H2,1-4H3;3*5-6,11-12,15H,7-10H2,1-4H3;5-7,12,15H,8-11H2,1-4H3;3-7,14,16H,8-13H2,1-2H3;3-5,10-12H,6-9H2,1-2H3/b21-11-;20-14-;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 3051.51 g/mol, XLogP of 43.87, 39 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160668870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).