4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

C122H124F6N10O4S2 — CID 159443955

IUPAC4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCN(C)c1ccc(CN2C(CC(c3ccccc3)c3ccccc3)CCCC2c2ccccc2)cc1.Fc1ccc(C2CCCC(c3ccc(F)cc3)N2Cc2ccncc2)cc1.Fc1ccc(C2CCCC(c3ccc(F)cc3)N2Cc2nccs2)cc1.Fc1ccc(CC2CCCC(c3ccc(F)cc3)N2Cc2nccs2)cc1.Oc1ccc(O)c(C2CCC(c3cc(O)ccc3O)N2Cc2ccncc2)c1
InChIInChI=1S/C34H38N2.C23H22F2N2.C22H22F2N2S.C22H22N2O4.C21H20F2N2S/c1-35(2)31-23-21-27(22-24-31)26-36-32(19-12-20-34(36)30-17-10-5-11-18-30)25-33(28-13-6-3-7-14-28)29-15-8-4-9-16-29;24-20-8-4-18(5-9-20)22-2-1-3-23(19-6-10-21(25)11-7-19)27(22)16-17-12-14-26-15-13-17;23-18-8-4-16(5-9-18)14-20-2-1-3-21(17-6-10-19(24)11-7-17)26(20)15-22-25-12-13-27-22;25-15-1-5-21(27)17(11-15)19-3-4-20(18-12-16(26)2-6-22(18)28)24(19)13-14-7-9-23-10-8-14;22-17-8-4-15(5-9-17)19-2-1-3-20(16-6-10-18(23)11-7-16)25(19)14-21-24-12-13-26-21/h3-11,13-18,21-24,32-34H,12,19-20,25-26H2,1-2H3;4-15,22-23H,1-3,16H2;4-13,20-21H,1-3,14-15H2;1-2,5-12,19-20,25-28H,3-4,13H2;4-13,19-20H,1-3,14H2
InChIKeyLSNGZPZGFADXEU-UHFFFAOYSA-N
MW1972.52 g/mol
LogP29.53
Rot. Bonds25

About 4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 159443955) has the molecular formula C122H124F6N10O4S2 and a molecular weight of 1972.52 g/mol. Its IUPAC name is 4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID159443955
Molecular FormulaC122H124F6N10O4S2
Molecular Weight1972.52 g/mol
Exact Mass1970.92
IUPAC Name4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCN(C)c1ccc(CN2C(CC(c3ccccc3)c3ccccc3)CCCC2c2ccccc2)cc1.Fc1ccc(C2CCCC(c3ccc(F)cc3)N2Cc2ccncc2)cc1.Fc1ccc(C2CCCC(c3ccc(F)cc3)N2Cc2nccs2)cc1.Fc1ccc(CC2CCCC(c3ccc(F)cc3)N2Cc2nccs2)cc1.Oc1ccc(O)c(C2CCC(c3cc(O)ccc3O)N2Cc2ccncc2)c1
InChIInChI=1S/C34H38N2.C23H22F2N2.C22H22F2N2S.C22H22N2O4.C21H20F2N2S/c1-35(2)31-23-21-27(22-24-31)26-36-32(19-12-20-34(36)30-17-10-5-11-18-30)25-33(28-13-6-3-7-14-28)29-15-8-4-9-16-29;24-20-8-4-18(5-9-20)22-2-1-3-23(19-6-10-21(25)11-7-19)27(22)16-17-12-14-26-15-13-17;23-18-8-4-16(5-9-18)14-20-2-1-3-21(17-6-10-19(24)11-7-17)26(20)15-22-25-12-13-27-22;25-15-1-5-21(27)17(11-15)19-3-4-20(18-12-16(26)2-6-22(18)28)24(19)13-14-7-9-23-10-8-14;22-17-8-4-15(5-9-17)19-2-1-3-20(16-6-10-18(23)11-7-16)25(19)14-21-24-12-13-26-21/h3-11,13-18,21-24,32-34H,12,19-20,25-26H2,1-2H3;4-15,22-23H,1-3,16H2;4-13,20-21H,1-3,14-15H2;1-2,5-12,19-20,25-28H,3-4,13H2;4-13,19-20H,1-3,14H2
InChIKeyLSNGZPZGFADXEU-UHFFFAOYSA-N
XLogP29.53
TPSA151.92 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001972.52
LogP ≤ 529.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)methanamine;N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;1-[2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazol-4-yl]ethanone
CID 160047518
4-[[benzyl-[[4-(dimethylamino)phenyl]methyl]amino]methyl]-N,N-dimethylaniline;2-[[(2,5-dihydroxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]benzene-1,4-diol;4-[[[4-(dimethylamino)phenyl]methyl-(1-phenylethyl)amino]methyl]-N,N-dimethylaniline;1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)methanamine;1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 158309188
1-Tert-butyl-3,5-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-3,5-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;1-(3,3-dimethylbutyl)-4-ethylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;methane;4-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 158577849
1-Tert-butyl-3,5-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-3,5-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;1-(3,3-dimethylbutyl)-4-ethylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;methane;4-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1,3-thiazole
CID 158916859
1-Tert-butyl-3,5-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-3,5-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;1-tert-butyl-2-ethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;1-(4-tert-butylpiperidin-1-yl)ethanone;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;1-(3,3-dimethylbutyl)-4-ethylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;2,4-di(propan-2-yl)-1,3-thiazole;4-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 159068823

Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 159443955) is 4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is CN(C)c1ccc(CN2C(CC(c3ccccc3)c3ccccc3)CCCC2c2ccccc2)cc1.Fc1ccc(C2CCCC(c3ccc(F)cc3)N2Cc2ccncc2)cc1.Fc1ccc(C2CCCC(c3ccc(F)cc3)N2Cc2nccs2)cc1.Fc1ccc(CC2CCCC(c3ccc(F)cc3)N2Cc2nccs2)cc1.Oc1ccc(O)c(C2CCC(c3cc(O)ccc3O)N2Cc2ccncc2)c1.
What is the InChIKey of 4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is LSNGZPZGFADXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2.C23H22F2N2.C22H22F2N2S.C22H22N2O4.C21H20F2N2S/c1-35(2)31-23-21-27(22-24-31)26-36-32(19-12-20-34(36)30-17-10-5-11-18-30)25-33(28-13-6-3-7-14-28)29-15-8-4-9-16-29;24-20-8-4-18(5-9-20)22-2-1-3-23(19-6-10-21(25)11-7-19)27(22)16-17-12-14-26-15-13-17;23-18-8-4-16(5-9-18)14-20-2-1-3-21(17-6-10-19(24)11-7-17)26(20)15-22-25-12-13-27-22;25-15-1-5-21(27)17(11-15)19-3-4-20(18-12-16(26)2-6-22(18)28)24(19)13-14-7-9-23-10-8-14;22-17-8-4-15(5-9-17)19-2-1-3-20(16-6-10-18(23)11-7-16)25(19)14-21-24-12-13-26-21/h3-11,13-18,21-24,32-34H,12,19-20,25-26H2,1-2H3;4-15,22-23H,1-3,16H2;4-13,20-21H,1-3,14-15H2;1-2,5-12,19-20,25-28H,3-4,13H2;4-13,19-20H,1-3,14H2.
What are the key properties of 4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 1972.52 g/mol, XLogP of 29.53, 25 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]pyridine;2-[[2,6-bis(4-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole;2-[5-(2,5-dihydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]benzene-1,4-diol;4-[[2-(2,2-diphenylethyl)-6-phenylpiperidin-1-yl]methyl]-N,N-dimethylaniline;2-[[2-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 159443955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).