(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

C181H268F6N22O11 — CID 159654036

IUPAC(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
SMILESCC(C)/C=C(/CN1CCN(C(C)C)CC1)c1ccccc1.CC(C)C/C=C(/CN1CCN(C(C)C)CC1)c1ccccc1.CC(C)N1CCN(C(=O)CCc2ccccc2)CC1.CC(C)N1CCN(C(=O)COCc2ccccc2)CC1.CC(C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.CC(C)N1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1.Cc1cc(C)cc(C(=O)N2CCN(C(C)C)CC2)c1.Cc1ccc(C(=O)N2CCN(C(C)C)CC2)c(C)c1.Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1C.Cc1ccc(C)c(C(=O)N2CCN(C(C)C)CC2)c1.Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1C
InChIInChI=1S/C20H32N2.C19H30N2.C16H24N2O2.6C16H24N2O.C15H19F3N2O2.C15H19F3N2O/c1-17(2)10-11-20(19-8-6-5-7-9-19)16-21-12-14-22(15-13-21)18(3)4;1-16(2)14-19(18-8-6-5-7-9-18)15-20-10-12-21(13-11-20)17(3)4;1-14(2)17-8-10-18(11-9-17)16(19)13-20-12-15-6-4-3-5-7-15;1-12(2)17-5-7-18(8-6-17)16(19)15-10-13(3)9-14(4)11-15;1-12(2)17-7-9-18(10-8-17)16(19)15-6-5-13(3)14(4)11-15;1-12(2)17-7-9-18(10-8-17)16(19)15-6-5-13(3)11-14(15)4;1-12(2)17-7-9-18(10-8-17)16(19)15-11-13(3)5-6-14(15)4;1-12(2)17-8-10-18(11-9-17)16(19)15-7-5-6-13(3)14(15)4;1-14(2)17-10-12-18(13-11-17)16(19)9-8-15-6-4-3-5-7-15;1-11(2)19-6-8-20(9-7-19)14(21)12-4-3-5-13(10-12)22-15(16,17)18;1-11(2)19-7-9-20(10-8-19)14(21)12-3-5-13(6-4-12)15(16,17)18/h5-9,11,17-18H,10,12-16H2,1-4H3;5-9,14,16-17H,10-13,15H2,1-4H3;3-7,14H,8-13H2,1-2H3;9-12H,5-8H2,1-4H3;3*5-6,11-12H,7-10H2,1-4H3;5-7,12H,8-11H2,1-4H3;3-7,14H,8-13H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3/b20-11-;19-14-;;;;;;;;;
InChIKeyMRYHFFWVKBDJSE-IRVNVZNPSA-N
MW3042.27 g/mol
LogP29.79
Rot. Bonds35

About (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

(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 (PubChem CID 159654036) has the molecular formula C181H268F6N22O11 and a molecular weight of 3042.27 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159654036
Molecular FormulaC181H268F6N22O11
Molecular Weight3042.27 g/mol
Exact Mass3040.10
IUPAC Name(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
SMILESCC(C)/C=C(/CN1CCN(C(C)C)CC1)c1ccccc1.CC(C)C/C=C(/CN1CCN(C(C)C)CC1)c1ccccc1.CC(C)N1CCN(C(=O)CCc2ccccc2)CC1.CC(C)N1CCN(C(=O)COCc2ccccc2)CC1.CC(C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.CC(C)N1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1.Cc1cc(C)cc(C(=O)N2CCN(C(C)C)CC2)c1.Cc1ccc(C(=O)N2CCN(C(C)C)CC2)c(C)c1.Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1C.Cc1ccc(C)c(C(=O)N2CCN(C(C)C)CC2)c1.Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1C
InChIInChI=1S/C20H32N2.C19H30N2.C16H24N2O2.6C16H24N2O.C15H19F3N2O2.C15H19F3N2O/c1-17(2)10-11-20(19-8-6-5-7-9-19)16-21-12-14-22(15-13-21)18(3)4;1-16(2)14-19(18-8-6-5-7-9-18)15-20-10-12-21(13-11-20)17(3)4;1-14(2)17-8-10-18(11-9-17)16(19)13-20-12-15-6-4-3-5-7-15;1-12(2)17-5-7-18(8-6-17)16(19)15-10-13(3)9-14(4)11-15;1-12(2)17-7-9-18(10-8-17)16(19)15-6-5-13(3)14(4)11-15;1-12(2)17-7-9-18(10-8-17)16(19)15-6-5-13(3)11-14(15)4;1-12(2)17-7-9-18(10-8-17)16(19)15-11-13(3)5-6-14(15)4;1-12(2)17-8-10-18(11-9-17)16(19)15-7-5-6-13(3)14(15)4;1-14(2)17-10-12-18(13-11-17)16(19)9-8-15-6-4-3-5-7-15;1-11(2)19-6-8-20(9-7-19)14(21)12-4-3-5-13(10-12)22-15(16,17)18;1-11(2)19-7-9-20(10-8-19)14(21)12-3-5-13(6-4-12)15(16,17)18/h5-9,11,17-18H,10,12-16H2,1-4H3;5-9,14,16-17H,10-13,15H2,1-4H3;3-7,14H,8-13H2,1-2H3;9-12H,5-8H2,1-4H3;3*5-6,11-12H,7-10H2,1-4H3;5-7,12H,8-11H2,1-4H3;3-7,14H,8-13H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3/b20-11-;19-14-;;;;;;;;;
InChIKeyMRYHFFWVKBDJSE-IRVNVZNPSA-N
XLogP29.79
TPSA243.37 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003042.27
LogP ≤ 529.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone;dihydrochloride
CID 69419856
[(2R)-4-[2-[(2S)-2-(methoxymethyl)morpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
CID 69419857
[(2R)-4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone;dihydrochloride
CID 69420342
[(2R)-4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
CID 69420343
[(2R)-4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone;dihydrochloride
CID 69420345
[(2R)-4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone;dihydrochloride
CID 69421234
[(2R)-4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
CID 69421235
[(2R)-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
CID 87825361
[(2R)-4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
CID 87825363
[(2R)-4-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
CID 87826476
[(9aS)-6-[4-[3-(dimethylamino)propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone;[(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
CID 157079776
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)/C=C(/CN1CCN(C(C)C)CC1)c1ccccc1.CC(C)C/C=C(/CN1CCN(C(C)C)CC1)c1ccccc1.CC(C)N1CCN(C(=O)CCc2ccccc2)CC1.CC(C)N1CCN(C(=O)COCc2ccccc2)CC1.CC(C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.CC(C)N1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1.Cc1cc(C)cc(C(=O)N2CCN(C(C)C)CC2)c1.Cc1ccc(C(=O)N2CCN(C(C)C)CC2)c(C)c1.Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1C.Cc1ccc(C)c(C(=O)N2CCN(C(C)C)CC2)c1.Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1C.
What is the InChIKey of (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?
The InChIKey is MRYHFFWVKBDJSE-IRVNVZNPSA-N. The full InChI is InChI=1S/C20H32N2.C19H30N2.C16H24N2O2.6C16H24N2O.C15H19F3N2O2.C15H19F3N2O/c1-17(2)10-11-20(19-8-6-5-7-9-19)16-21-12-14-22(15-13-21)18(3)4;1-16(2)14-19(18-8-6-5-7-9-18)15-20-10-12-21(13-11-20)17(3)4;1-14(2)17-8-10-18(11-9-17)16(19)13-20-12-15-6-4-3-5-7-15;1-12(2)17-5-7-18(8-6-17)16(19)15-10-13(3)9-14(4)11-15;1-12(2)17-7-9-18(10-8-17)16(19)15-6-5-13(3)14(4)11-15;1-12(2)17-7-9-18(10-8-17)16(19)15-6-5-13(3)11-14(15)4;1-12(2)17-7-9-18(10-8-17)16(19)15-11-13(3)5-6-14(15)4;1-12(2)17-8-10-18(11-9-17)16(19)15-7-5-6-13(3)14(15)4;1-14(2)17-10-12-18(13-11-17)16(19)9-8-15-6-4-3-5-7-15;1-11(2)19-6-8-20(9-7-19)14(21)12-4-3-5-13(10-12)22-15(16,17)18;1-11(2)19-7-9-20(10-8-19)14(21)12-3-5-13(6-4-12)15(16,17)18/h5-9,11,17-18H,10,12-16H2,1-4H3;5-9,14,16-17H,10-13,15H2,1-4H3;3-7,14H,8-13H2,1-2H3;9-12H,5-8H2,1-4H3;3*5-6,11-12H,7-10H2,1-4H3;5-7,12H,8-11H2,1-4H3;3-7,14H,8-13H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6,11H,7-10H2,1-2H3/b20-11-;19-14-;;;;;;;;;.
What are the key properties of (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?
(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 has a molecular weight of 3042.27 g/mol, XLogP of 29.79, 35 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159654036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).