1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide

C187H279F2N17O20S — CID 159985696

IUPAC1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide
SMILESCC(C)/C=C/C(=O)N(C)C.CC(C)C(=O)N1CCOCC1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(C(C)(C)O)nc1.CC(C)c1ccc(C2CCN(CC(F)F)CC2)cc1.CC(C)c1ccc(CC(=O)O)cc1.CC(C)c1ccc(Cn2ccnc2)cc1.CC(C)c1ccc(N2CC(O)C2)c(C#N)c1.CC(C)c1ccnc(OC(C)(C)C)c1.CCC(=O)N1CCN(c2ccc(C(C)C)cc2OC)CC1.COC(C)(C)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1N1CCN(S(C)(=O)=O)CC1.COc1cc(C(C)C)ccc1N1CCOCC1.COc1cc(N2CCOCC2)ccc1C(C)C.Cc1cc(N2CCOCC2)ccc1C(C)C
InChIInChI=1S/C17H26N2O2.C16H23F2N.C15H24N2O3S.2C14H21NO2.C14H21NO.C13H16N2O.C13H16N2.C13H20O.C12H19NO.C11H17NO.C11H14O2.C8H15NO2.C8H11NO.C8H15NO/c1-5-17(20)19-10-8-18(9-11-19)15-7-6-14(13(2)3)12-16(15)21-4;1-12(2)13-3-5-14(6-4-13)15-7-9-19(10-8-15)11-16(17)18;1-12(2)13-5-6-14(15(11-13)20-3)16-7-9-17(10-8-16)21(4,18)19;1-11(2)13-5-4-12(10-14(13)16-3)15-6-8-17-9-7-15;1-11(2)12-4-5-13(14(10-12)16-3)15-6-8-17-9-7-15;1-11(2)14-5-4-13(10-12(14)3)15-6-8-16-9-7-15;1-9(2)10-3-4-13(11(5-10)6-14)15-7-12(16)8-15;1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-10(2)11-6-8-12(9-7-11)13(3,4)14-5;1-9(2)10-6-7-13-11(8-10)14-12(3,4)5;1-8(2)9-5-6-10(12-7-9)11(3,4)13;1-8(2)10-5-3-9(4-6-10)7-11(12)13;1-7(2)8(10)9-3-5-11-6-4-9;1-6(2)7-3-4-8(10)9-5-7;1-7(2)5-6-8(10)9(3)4/h6-7,12-13H,5,8-11H2,1-4H3;3-6,12,15-16H,7-11H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;2*4-5,10-11H,6-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-5,9,12,16H,7-8H2,1-2H3;3-8,10-11H,9H2,1-2H3;6-10H,1-5H3;6-9H,1-5H3;5-8,13H,1-4H3;3-6,8H,7H2,1-2H3,(H,12,13);7H,3-6H2,1-2H3;3-6H,1-2H3,(H,9,10);5-7H,1-4H3/b;;;;;;;;;;;;;;6-5+
InChIKeyOGHQRNMELFEAGU-LSTJFHANSA-N
MW3155.45 g/mol
LogP37.44
Rot. Bonds39

About 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide

1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide (PubChem CID 159985696) has the molecular formula C187H279F2N17O20S and a molecular weight of 3155.45 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide
PubChem CID159985696
Molecular FormulaC187H279F2N17O20S
Molecular Weight3155.45 g/mol
Exact Mass3153.10
IUPAC Name1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide
SMILESCC(C)/C=C/C(=O)N(C)C.CC(C)C(=O)N1CCOCC1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(C(C)(C)O)nc1.CC(C)c1ccc(C2CCN(CC(F)F)CC2)cc1.CC(C)c1ccc(CC(=O)O)cc1.CC(C)c1ccc(Cn2ccnc2)cc1.CC(C)c1ccc(N2CC(O)C2)c(C#N)c1.CC(C)c1ccnc(OC(C)(C)C)c1.CCC(=O)N1CCN(c2ccc(C(C)C)cc2OC)CC1.COC(C)(C)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1N1CCN(S(C)(=O)=O)CC1.COc1cc(C(C)C)ccc1N1CCOCC1.COc1cc(N2CCOCC2)ccc1C(C)C.Cc1cc(N2CCOCC2)ccc1C(C)C
InChIInChI=1S/C17H26N2O2.C16H23F2N.C15H24N2O3S.2C14H21NO2.C14H21NO.C13H16N2O.C13H16N2.C13H20O.C12H19NO.C11H17NO.C11H14O2.C8H15NO2.C8H11NO.C8H15NO/c1-5-17(20)19-10-8-18(9-11-19)15-7-6-14(13(2)3)12-16(15)21-4;1-12(2)13-3-5-14(6-4-13)15-7-9-19(10-8-15)11-16(17)18;1-12(2)13-5-6-14(15(11-13)20-3)16-7-9-17(10-8-16)21(4,18)19;1-11(2)13-5-4-12(10-14(13)16-3)15-6-8-17-9-7-15;1-11(2)12-4-5-13(14(10-12)16-3)15-6-8-17-9-7-15;1-11(2)14-5-4-13(10-12(14)3)15-6-8-16-9-7-15;1-9(2)10-3-4-13(11(5-10)6-14)15-7-12(16)8-15;1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-10(2)11-6-8-12(9-7-11)13(3,4)14-5;1-9(2)10-6-7-13-11(8-10)14-12(3,4)5;1-8(2)9-5-6-10(12-7-9)11(3,4)13;1-8(2)10-5-3-9(4-6-10)7-11(12)13;1-7(2)8(10)9-3-5-11-6-4-9;1-6(2)7-3-4-8(10)9-5-7;1-7(2)5-6-8(10)9(3)4/h6-7,12-13H,5,8-11H2,1-4H3;3-6,12,15-16H,7-11H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;2*4-5,10-11H,6-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-5,9,12,16H,7-8H2,1-2H3;3-8,10-11H,9H2,1-2H3;6-10H,1-5H3;6-9H,1-5H3;5-8,13H,1-4H3;3-6,8H,7H2,1-2H3,(H,12,13);7H,3-6H2,1-2H3;3-6H,1-2H3,(H,9,10);5-7H,1-4H3/b;;;;;;;;;;;;;;6-5+
InChIKeyOGHQRNMELFEAGU-LSTJFHANSA-N
XLogP37.44
TPSA391.30 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds39
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003155.45
LogP ≤ 537.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

3-[8-(1-Butanoylazetidin-3-yl)oxyisoquinolin-6-yl]benzonitrile;3-[8-[[1-[2-(dimethylamino)acetyl]azetidin-3-yl]methoxy]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylsulfonylazetidine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[(1-methylsulfonylazetidin-3-yl)amino]isoquinolin-6-yl]benzonitrile;[3-[6-[3-(hydroxymethyl)phenyl]isoquinolin-8-yl]oxyazetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 158342096
3-[8-[[1-[2-(Dimethylamino)acetyl]azetidin-3-yl]methoxy]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[[1-(1-methylsulfonylazetidine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[(1-methylsulfonylazetidin-3-yl)amino]isoquinolin-6-yl]benzonitrile;[3-[6-[3-(hydroxymethyl)phenyl]isoquinolin-8-yl]oxyazetidin-1-yl]-(3-methylimidazol-4-yl)methanone;3-[8-[1-[2-(methylamino)acetyl]azetidin-3-yl]oxyisoquinolin-6-yl]benzonitrile
CID 159083402
N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide
CID 159300086
(E)-4-[8-[[1-[2-(dimethylamino)acetyl]azetidin-3-yl]methoxy]isoquinolin-6-yl]but-2-enenitrile;2-fluoro-5-[8-[[1-(1-methylsulfonylazetidine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile;2-fluoro-5-[8-[(1-methylsulfonylazetidin-3-yl)amino]isoquinolin-6-yl]benzonitrile;[3-[6-[3-(hydroxymethyl)phenyl]isoquinolin-8-yl]oxyazetidin-1-yl]-(3-methylimidazol-4-yl)methanone;(E)-4-[8-[1-[2-(methylamino)acetyl]azetidin-3-yl]oxyisoquinolin-6-yl]but-2-enenitrile;bis(prop-1-ene)
CID 160573252

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide (CID 159985696) is 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide is CC(C)/C=C/C(=O)N(C)C.CC(C)C(=O)N1CCOCC1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(C(C)(C)O)nc1.CC(C)c1ccc(C2CCN(CC(F)F)CC2)cc1.CC(C)c1ccc(CC(=O)O)cc1.CC(C)c1ccc(Cn2ccnc2)cc1.CC(C)c1ccc(N2CC(O)C2)c(C#N)c1.CC(C)c1ccnc(OC(C)(C)C)c1.CCC(=O)N1CCN(c2ccc(C(C)C)cc2OC)CC1.COC(C)(C)c1ccc(C(C)C)cc1.COc1cc(C(C)C)ccc1N1CCN(S(C)(=O)=O)CC1.COc1cc(C(C)C)ccc1N1CCOCC1.COc1cc(N2CCOCC2)ccc1C(C)C.Cc1cc(N2CCOCC2)ccc1C(C)C.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide?
The InChIKey is OGHQRNMELFEAGU-LSTJFHANSA-N. The full InChI is InChI=1S/C17H26N2O2.C16H23F2N.C15H24N2O3S.2C14H21NO2.C14H21NO.C13H16N2O.C13H16N2.C13H20O.C12H19NO.C11H17NO.C11H14O2.C8H15NO2.C8H11NO.C8H15NO/c1-5-17(20)19-10-8-18(9-11-19)15-7-6-14(13(2)3)12-16(15)21-4;1-12(2)13-3-5-14(6-4-13)15-7-9-19(10-8-15)11-16(17)18;1-12(2)13-5-6-14(15(11-13)20-3)16-7-9-17(10-8-16)21(4,18)19;1-11(2)13-5-4-12(10-14(13)16-3)15-6-8-17-9-7-15;1-11(2)12-4-5-13(14(10-12)16-3)15-6-8-17-9-7-15;1-11(2)14-5-4-13(10-12(14)3)15-6-8-16-9-7-15;1-9(2)10-3-4-13(11(5-10)6-14)15-7-12(16)8-15;1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-10(2)11-6-8-12(9-7-11)13(3,4)14-5;1-9(2)10-6-7-13-11(8-10)14-12(3,4)5;1-8(2)9-5-6-10(12-7-9)11(3,4)13;1-8(2)10-5-3-9(4-6-10)7-11(12)13;1-7(2)8(10)9-3-5-11-6-4-9;1-6(2)7-3-4-8(10)9-5-7;1-7(2)5-6-8(10)9(3)4/h6-7,12-13H,5,8-11H2,1-4H3;3-6,12,15-16H,7-11H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;2*4-5,10-11H,6-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-5,9,12,16H,7-8H2,1-2H3;3-8,10-11H,9H2,1-2H3;6-10H,1-5H3;6-9H,1-5H3;5-8,13H,1-4H3;3-6,8H,7H2,1-2H3,(H,12,13);7H,3-6H2,1-2H3;3-6H,1-2H3,(H,9,10);5-7H,1-4H3/b;;;;;;;;;;;;;;6-5+.
What are the key properties of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide?
1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide has a molecular weight of 3155.45 g/mol, XLogP of 37.44, 39 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;2-(3-hydroxyazetidin-1-yl)-5-propan-2-ylbenzonitrile;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;4-(3-methoxy-4-propan-2-ylphenyl)morpholine;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;2-methyl-1-morpholin-4-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)acetic acid;1-[(4-propan-2-ylphenyl)methyl]imidazole;5-propan-2-yl-1H-pyridin-2-one;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(E)-N,N,4-trimethylpent-2-enamide is sourced from PubChem (CID 159985696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).