1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine

C223H408F3N41O17S5 — CID 161223420

IUPAC1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=C(c1cncs1)N1CCN(C(C)C)CC1CO.CC(=O)C1[C@@H](C)CN(C(C)C)C[C@@H]1C.CC(=O)C1[C@H](C)CN(C(C)C)C[C@H]1C.CC(=O)N1CCN(C(C)C)C[C@@H]1C.CC(=O)N1CCN(C(C)C)C[C@@H]1Cc1ccccc1.CC(=O)N1CCN(C(C)C)C[C@H]1C.CC(C)N1CC2CCC(C1)N2c1nccs1.CC(C)N1CCC(O)(c2ccccc2)CC1.CC(C)N1CCC(c2cnn(C)c2)CC1.CC(C)N1CCN(C(=O)C(C)(C)O)[C@@H](C)C1.CC(C)N1CCN(C(=O)CN(C)C)C(C)C1.CC(C)N1CCN(CC(F)(F)F)CC1.CC(C)N1CCN(Cc2nccn2C)[C@@H](C)C1.CC(C)N1CCN(c2ccccc2)[C@@H](C)C1.CC(C)N1CCN(c2ccccc2)[C@H](C)C1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1C[C@@H](C)N(S(C)(=O)=O)[C@H](C)C1.CC(C)N1C[C@H](C)N(S(C)(=O)=O)[C@@H](C)C1.CNCC(=O)N1CCN(C(C)C)CC1C
InChIInChI=1S/C16H24N2O.2C14H22N2.C14H21NO.C13H24N4.C13H21N3OS.C12H25N3O.C12H19N3S.C12H21N3.C12H24N2O2.2C12H23NO.C11H23N3O.2C10H22N2O2S.2C10H20N2O.C9H17F3N2.C7H15NO2S/c1-13(2)17-9-10-18(14(3)19)16(12-17)11-15-7-5-4-6-8-15;2*1-12(2)15-9-10-16(13(3)11-15)14-7-5-4-6-8-14;1-12(2)15-10-8-14(16,9-11-15)13-6-4-3-5-7-13;1-11(2)16-7-8-17(12(3)9-16)10-13-14-5-6-15(13)4;1-10(2)15-4-5-16(12(7-15)8-17)11(3)13-6-14-9-18-13;1-10(2)14-6-7-15(11(3)8-14)12(16)9-13(4)5;1-9(2)14-7-10-3-4-11(8-14)15(10)12-13-5-6-16-12;1-10(2)15-6-4-11(5-7-15)12-8-13-14(3)9-12;1-9(2)13-6-7-14(10(3)8-13)11(15)12(4,5)16;2*1-8(2)13-6-9(3)12(11(5)14)10(4)7-13;1-9(2)13-5-6-14(10(3)8-13)11(15)7-12-4;2*1-8(2)11-6-9(3)12(10(4)7-11)15(5,13)14;2*1-8(2)11-5-6-12(10(4)13)9(3)7-11;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;1-7(2)8-3-5-11(9,10)6-4-8/h4-8,13,16H,9-12H2,1-3H3;2*4-8,12-13H,9-11H2,1-3H3;3-7,12,16H,8-11H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;6,9-10,12,17H,3-5,7-8H2,1-2H3;10-11H,6-9H2,1-5H3;5-6,9-11H,3-4,7-8H2,1-2H3;8-11H,4-7H2,1-3H3;9-10,16H,6-8H2,1-5H3;2*8-10,12H,6-7H2,1-5H3;9-10,12H,5-8H2,1-4H3;2*8-10H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3/t16-;2*13-;;12-;;;;;10-;2*9-,10-;;2*9-,10-;2*9-;;/m010.0....010.1010../s1
InChIKeyUXUUBRWXNDDZOD-KKVQHCCPSA-N
MW4153.32 g/mol
LogP27.61
Rot. Bonds41

About 1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine

1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 161223420) has the molecular formula C223H408F3N41O17S5 and a molecular weight of 4153.32 g/mol. Its IUPAC name is 1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID161223420
Molecular FormulaC223H408F3N41O17S5
Molecular Weight4153.32 g/mol
Exact Mass4150.09
IUPAC Name1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=C(c1cncs1)N1CCN(C(C)C)CC1CO.CC(=O)C1[C@@H](C)CN(C(C)C)C[C@@H]1C.CC(=O)C1[C@H](C)CN(C(C)C)C[C@H]1C.CC(=O)N1CCN(C(C)C)C[C@@H]1C.CC(=O)N1CCN(C(C)C)C[C@@H]1Cc1ccccc1.CC(=O)N1CCN(C(C)C)C[C@H]1C.CC(C)N1CC2CCC(C1)N2c1nccs1.CC(C)N1CCC(O)(c2ccccc2)CC1.CC(C)N1CCC(c2cnn(C)c2)CC1.CC(C)N1CCN(C(=O)C(C)(C)O)[C@@H](C)C1.CC(C)N1CCN(C(=O)CN(C)C)C(C)C1.CC(C)N1CCN(CC(F)(F)F)CC1.CC(C)N1CCN(Cc2nccn2C)[C@@H](C)C1.CC(C)N1CCN(c2ccccc2)[C@@H](C)C1.CC(C)N1CCN(c2ccccc2)[C@H](C)C1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1C[C@@H](C)N(S(C)(=O)=O)[C@H](C)C1.CC(C)N1C[C@H](C)N(S(C)(=O)=O)[C@@H](C)C1.CNCC(=O)N1CCN(C(C)C)CC1C
InChIInChI=1S/C16H24N2O.2C14H22N2.C14H21NO.C13H24N4.C13H21N3OS.C12H25N3O.C12H19N3S.C12H21N3.C12H24N2O2.2C12H23NO.C11H23N3O.2C10H22N2O2S.2C10H20N2O.C9H17F3N2.C7H15NO2S/c1-13(2)17-9-10-18(14(3)19)16(12-17)11-15-7-5-4-6-8-15;2*1-12(2)15-9-10-16(13(3)11-15)14-7-5-4-6-8-14;1-12(2)15-10-8-14(16,9-11-15)13-6-4-3-5-7-13;1-11(2)16-7-8-17(12(3)9-16)10-13-14-5-6-15(13)4;1-10(2)15-4-5-16(12(7-15)8-17)11(3)13-6-14-9-18-13;1-10(2)14-6-7-15(11(3)8-14)12(16)9-13(4)5;1-9(2)14-7-10-3-4-11(8-14)15(10)12-13-5-6-16-12;1-10(2)15-6-4-11(5-7-15)12-8-13-14(3)9-12;1-9(2)13-6-7-14(10(3)8-13)11(15)12(4,5)16;2*1-8(2)13-6-9(3)12(11(5)14)10(4)7-13;1-9(2)13-5-6-14(10(3)8-13)11(15)7-12-4;2*1-8(2)11-6-9(3)12(10(4)7-11)15(5,13)14;2*1-8(2)11-5-6-12(10(4)13)9(3)7-11;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;1-7(2)8-3-5-11(9,10)6-4-8/h4-8,13,16H,9-12H2,1-3H3;2*4-8,12-13H,9-11H2,1-3H3;3-7,12,16H,8-11H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;6,9-10,12,17H,3-5,7-8H2,1-2H3;10-11H,6-9H2,1-5H3;5-6,9-11H,3-4,7-8H2,1-2H3;8-11H,4-7H2,1-3H3;9-10,16H,6-8H2,1-5H3;2*8-10,12H,6-7H2,1-5H3;9-10,12H,5-8H2,1-4H3;2*8-10H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3/t16-;2*13-;;12-;;;;;10-;2*9-,10-;;2*9-,10-;2*9-;;/m010.0....010.1010../s1
InChIKeyUXUUBRWXNDDZOD-KKVQHCCPSA-N
XLogP27.61
TPSA483.28 Ų
H-Bond Donors4
H-Bond Acceptors52
Rotatable Bonds41
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004153.32
LogP ≤ 527.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1052

Analyze 1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine with MolForge

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What is the IUPAC name of 1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine (CID 161223420) is 1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine is C=C(c1cncs1)N1CCN(C(C)C)CC1CO.CC(=O)C1[C@@H](C)CN(C(C)C)C[C@@H]1C.CC(=O)C1[C@H](C)CN(C(C)C)C[C@H]1C.CC(=O)N1CCN(C(C)C)C[C@@H]1C.CC(=O)N1CCN(C(C)C)C[C@@H]1Cc1ccccc1.CC(=O)N1CCN(C(C)C)C[C@H]1C.CC(C)N1CC2CCC(C1)N2c1nccs1.CC(C)N1CCC(O)(c2ccccc2)CC1.CC(C)N1CCC(c2cnn(C)c2)CC1.CC(C)N1CCN(C(=O)C(C)(C)O)[C@@H](C)C1.CC(C)N1CCN(C(=O)CN(C)C)C(C)C1.CC(C)N1CCN(CC(F)(F)F)CC1.CC(C)N1CCN(Cc2nccn2C)[C@@H](C)C1.CC(C)N1CCN(c2ccccc2)[C@@H](C)C1.CC(C)N1CCN(c2ccccc2)[C@H](C)C1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1C[C@@H](C)N(S(C)(=O)=O)[C@H](C)C1.CC(C)N1C[C@H](C)N(S(C)(=O)=O)[C@@H](C)C1.CNCC(=O)N1CCN(C(C)C)CC1C.
What is the InChIKey of 1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is UXUUBRWXNDDZOD-KKVQHCCPSA-N. The full InChI is InChI=1S/C16H24N2O.2C14H22N2.C14H21NO.C13H24N4.C13H21N3OS.C12H25N3O.C12H19N3S.C12H21N3.C12H24N2O2.2C12H23NO.C11H23N3O.2C10H22N2O2S.2C10H20N2O.C9H17F3N2.C7H15NO2S/c1-13(2)17-9-10-18(14(3)19)16(12-17)11-15-7-5-4-6-8-15;2*1-12(2)15-9-10-16(13(3)11-15)14-7-5-4-6-8-14;1-12(2)15-10-8-14(16,9-11-15)13-6-4-3-5-7-13;1-11(2)16-7-8-17(12(3)9-16)10-13-14-5-6-15(13)4;1-10(2)15-4-5-16(12(7-15)8-17)11(3)13-6-14-9-18-13;1-10(2)14-6-7-15(11(3)8-14)12(16)9-13(4)5;1-9(2)14-7-10-3-4-11(8-14)15(10)12-13-5-6-16-12;1-10(2)15-6-4-11(5-7-15)12-8-13-14(3)9-12;1-9(2)13-6-7-14(10(3)8-13)11(15)12(4,5)16;2*1-8(2)13-6-9(3)12(11(5)14)10(4)7-13;1-9(2)13-5-6-14(10(3)8-13)11(15)7-12-4;2*1-8(2)11-6-9(3)12(10(4)7-11)15(5,13)14;2*1-8(2)11-5-6-12(10(4)13)9(3)7-11;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;1-7(2)8-3-5-11(9,10)6-4-8/h4-8,13,16H,9-12H2,1-3H3;2*4-8,12-13H,9-11H2,1-3H3;3-7,12,16H,8-11H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;6,9-10,12,17H,3-5,7-8H2,1-2H3;10-11H,6-9H2,1-5H3;5-6,9-11H,3-4,7-8H2,1-2H3;8-11H,4-7H2,1-3H3;9-10,16H,6-8H2,1-5H3;2*8-10,12H,6-7H2,1-5H3;9-10,12H,5-8H2,1-4H3;2*8-10H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3/t16-;2*13-;;12-;;;;;10-;2*9-,10-;;2*9-,10-;2*9-;;/m010.0....010.1010../s1.
What are the key properties of 1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 4153.32 g/mol, XLogP of 27.61, 41 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-benzyl-4-propan-2-ylpiperazin-1-yl]ethanone;2-(dimethylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2R,6R)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;(2S,6S)-2,6-dimethyl-1-methylsulfonyl-4-propan-2-ylpiperazine;1-[(3R,5R)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;1-[(3S,5S)-3,5-dimethyl-1-propan-2-ylpiperidin-4-yl]ethanone;2-hydroxy-2-methyl-1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one;2-(methylamino)-1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;(2R)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;(2S)-2-methyl-1-phenyl-4-propan-2-ylpiperazine;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethanone;4-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine;4-phenyl-1-propan-2-ylpiperidin-4-ol;2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-thiazole;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;[4-propan-2-yl-1-[1-(1,3-thiazol-5-yl)ethenyl]piperazin-2-yl]methanol;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 161223420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).