4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione

C167H231F6N23O2S7 — CID 158068243

IUPAC4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione
SMILESCSc1ccc(N2CCC(CC(=S)CCCN3CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4cc(C)c(C)cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(C)cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Oc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=S)CCCN3CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cc1ccc(OC2CCN(C(=S)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C31H42F3N3OS.C28H36F3N3OS.C28H39N3S2.C27H39N5S.C27H38N4S.C26H37N5S/c1-23-7-12-27(22-28(23)31(32,33)34)38-26-13-16-37(17-14-26)29(39)6-5-15-35-18-20-36(21-19-35)25-10-8-24(9-11-25)30(2,3)4;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(36)34-14-11-24(12-15-34)35-25-10-7-22(2)26(20-25)28(29,30)31;1-23-5-7-25(8-6-23)31-20-18-29(19-21-31)15-3-4-27(32)22-24-13-16-30(17-14-24)26-9-11-28(33-2)12-10-26;1-21-6-8-25(9-7-21)31-17-15-30(16-18-31)12-4-5-27(33)32-13-10-24(11-14-32)29-26-19-22(2)23(3)20-28-26;1-22-5-9-24(10-6-22)28-25-13-16-31(17-14-25)27(32)4-3-15-29-18-20-30(21-19-29)26-11-7-23(2)8-12-26;1-21-5-8-24(9-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-25-10-7-22(2)20-27-25/h7-12,22,26H,5-6,13-21H2,1-4H3;5-10,20,24H,3-4,11-19H2,1-2H3;5-12,24H,3-4,13-22H2,1-2H3;6-9,19-20,24H,4-5,10-18H2,1-3H3,(H,28,29);5-12,25,28H,3-4,13-21H2,1-2H3;5-10,20,23H,3-4,11-19H2,1-2H3,(H,27,28)
InChIKeyFLMQORMCNSUDRK-UHFFFAOYSA-N
MW2931.30 g/mol
LogP33.90
Rot. Bonds44

About 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione

4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione (PubChem CID 158068243) has the molecular formula C167H231F6N23O2S7 and a molecular weight of 2931.30 g/mol. Its IUPAC name is 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione.

Molecular Properties

Compound Name4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione
PubChem CID158068243
Molecular FormulaC167H231F6N23O2S7
Molecular Weight2931.30 g/mol
Exact Mass2928.66
IUPAC Name4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione
SMILESCSc1ccc(N2CCC(CC(=S)CCCN3CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4cc(C)c(C)cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(C)cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Oc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=S)CCCN3CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cc1ccc(OC2CCN(C(=S)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C31H42F3N3OS.C28H36F3N3OS.C28H39N3S2.C27H39N5S.C27H38N4S.C26H37N5S/c1-23-7-12-27(22-28(23)31(32,33)34)38-26-13-16-37(17-14-26)29(39)6-5-15-35-18-20-36(21-19-35)25-10-8-24(9-11-25)30(2,3)4;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(36)34-14-11-24(12-15-34)35-25-10-7-22(2)26(20-25)28(29,30)31;1-23-5-7-25(8-6-23)31-20-18-29(19-21-31)15-3-4-27(32)22-24-13-16-30(17-14-24)26-9-11-28(33-2)12-10-26;1-21-6-8-25(9-7-21)31-17-15-30(16-18-31)12-4-5-27(33)32-13-10-24(11-14-32)29-26-19-22(2)23(3)20-28-26;1-22-5-9-24(10-6-22)28-25-13-16-31(17-14-25)27(32)4-3-15-29-18-20-30(21-19-29)26-11-7-23(2)8-12-26;1-21-5-8-24(9-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-25-10-7-22(2)20-27-25/h7-12,22,26H,5-6,13-21H2,1-4H3;5-10,20,24H,3-4,11-19H2,1-2H3;5-12,24H,3-4,13-22H2,1-2H3;6-9,19-20,24H,4-5,10-18H2,1-3H3,(H,28,29);5-12,25,28H,3-4,13-21H2,1-2H3;5-10,20,23H,3-4,11-19H2,1-2H3,(H,27,28)
InChIKeyFLMQORMCNSUDRK-UHFFFAOYSA-N
XLogP33.90
TPSA138.65 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds44
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.30
LogP ≤ 533.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione with MolForge

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Related Compounds

4-[4-(4-Tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one
CID 161343450
1-(Cyclohexylmethoxy)-4-methylbenzene;1-cyclohexyl-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperazine
CID 158468247
CID 158555659
CID 158555659
1-(Cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;3,5-dimethyl-1-(4-methylphenyl)piperazine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;1-[2-(4-methylphenoxy)ethyl]piperidine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperidine
CID 158677072
1-(Cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;1-[2-(4-methylphenoxy)ethyl]piperidine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine
CID 159563759
1-(Cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(4-methylphenyl)-4-propylpiperazine;5-methyl-2-piperidin-1-ylpyridine;1-(5-methylthiophen-2-yl)piperidine
CID 161668175

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione?
The IUPAC name of 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione (CID 158068243) is 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione.
What is the SMILES notation for 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione?
The canonical SMILES for 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione is CSc1ccc(N2CCC(CC(=S)CCCN3CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4cc(C)c(C)cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Nc4ccc(C)cn4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCCC(=S)N3CCC(Oc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCN(C(=S)CCCN3CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cc1ccc(OC2CCN(C(=S)CCCN3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione?
The InChIKey is FLMQORMCNSUDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42F3N3OS.C28H36F3N3OS.C28H39N3S2.C27H39N5S.C27H38N4S.C26H37N5S/c1-23-7-12-27(22-28(23)31(32,33)34)38-26-13-16-37(17-14-26)29(39)6-5-15-35-18-20-36(21-19-35)25-10-8-24(9-11-25)30(2,3)4;1-21-5-8-23(9-6-21)33-18-16-32(17-19-33)13-3-4-27(36)34-14-11-24(12-15-34)35-25-10-7-22(2)26(20-25)28(29,30)31;1-23-5-7-25(8-6-23)31-20-18-29(19-21-31)15-3-4-27(32)22-24-13-16-30(17-14-24)26-9-11-28(33-2)12-10-26;1-21-6-8-25(9-7-21)31-17-15-30(16-18-31)12-4-5-27(33)32-13-10-24(11-14-32)29-26-19-22(2)23(3)20-28-26;1-22-5-9-24(10-6-22)28-25-13-16-31(17-14-25)27(32)4-3-15-29-18-20-30(21-19-29)26-11-7-23(2)8-12-26;1-21-5-8-24(9-6-21)30-18-16-29(17-19-30)13-3-4-26(32)31-14-11-23(12-15-31)28-25-10-7-22(2)20-27-25/h7-12,22,26H,5-6,13-21H2,1-4H3;5-10,20,24H,3-4,11-19H2,1-2H3;5-12,24H,3-4,13-22H2,1-2H3;6-9,19-20,24H,4-5,10-18H2,1-3H3,(H,28,29);5-12,25,28H,3-4,13-21H2,1-2H3;5-10,20,23H,3-4,11-19H2,1-2H3,(H,27,28).
What are the key properties of 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione?
4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione has a molecular weight of 2931.30 g/mol, XLogP of 33.90, 44 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione;1-[4-[(4,5-dimethyl-2-pyridinyl)amino]piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;1-[4-(4-methylanilino)piperidin-1-yl]-4-[4-(4-methylphenyl)piperazin-1-yl]butane-1-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]butane-1-thione;5-[4-(4-methylphenyl)piperazin-1-yl]-1-[1-(4-methylsulfanylphenyl)piperidin-4-yl]pentane-2-thione;4-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]butane-1-thione is sourced from PubChem (CID 158068243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).