bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)

C142H140F20N20O6 — CID 162235999

IUPACbis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)
SMILESFC(F)(F)c1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/2C26H24F6N2O.2C23H23F3N4O.2C22H23FN4O/c2*27-25(28,29)20-9-11-23(12-10-20)35-24(19-5-2-1-3-6-19)18-33-13-15-34(16-14-33)22-8-4-7-21(17-22)26(30,31)32;2*24-23(25,26)19-7-9-20(10-8-19)31-21(18-5-2-1-3-6-18)17-29-13-15-30(16-14-29)22-27-11-4-12-28-22;2*23-19-7-9-20(10-8-19)28-21(18-5-2-1-3-6-18)17-26-13-15-27(16-14-26)22-24-11-4-12-25-22/h2*1-12,17,24H,13-16,18H2;2*1-12,21H,13-17H2;2*1-12,21H,13-17H2
InChIKeyZWBIAEAHWIZTKT-UHFFFAOYSA-N
MW2602.78 g/mol
LogP29.32
Rot. Bonds36

About bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)

bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine) (PubChem CID 162235999) has the molecular formula C142H140F20N20O6 and a molecular weight of 2602.78 g/mol. Its IUPAC name is bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine).

Molecular Properties

Compound Namebis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)
PubChem CID162235999
Molecular FormulaC142H140F20N20O6
Molecular Weight2602.78 g/mol
Exact Mass2601.09
IUPAC Namebis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)
SMILESFC(F)(F)c1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/2C26H24F6N2O.2C23H23F3N4O.2C22H23FN4O/c2*27-25(28,29)20-9-11-23(12-10-20)35-24(19-5-2-1-3-6-19)18-33-13-15-34(16-14-33)22-8-4-7-21(17-22)26(30,31)32;2*24-23(25,26)19-7-9-20(10-8-19)31-21(18-5-2-1-3-6-18)17-29-13-15-30(16-14-29)22-27-11-4-12-28-22;2*23-19-7-9-20(10-8-19)28-21(18-5-2-1-3-6-18)17-26-13-15-27(16-14-26)22-24-11-4-12-25-22/h2*1-12,17,24H,13-16,18H2;2*1-12,21H,13-17H2;2*1-12,21H,13-17H2
InChIKeyZWBIAEAHWIZTKT-UHFFFAOYSA-N
XLogP29.32
TPSA197.38 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002602.78
LogP ≤ 529.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine) with MolForge

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Related Compounds

2-[4-[2-Phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine
CID 11539196
4-[4-(3-fluoro-4-methoxyphenyl)-6-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761042
4-[4-[(2R)-2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]morpholine
CID 57761155
4-[4-(3-ethoxyphenyl)-6-[(2R)-2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761348
4-[4-[(2R)-2-methyl-4-(3-methylpyridin-2-yl)piperazin-1-yl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]morpholine
CID 57761471
4-[6-(2,5-Difluoro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 57761737
4-[6-(4-Methoxyphenyl)-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 57761760
4-[4-(4-Methoxyphenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761815
4-[4-(3-fluoro-4-methoxyphenyl)-6-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761945
6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-morpholin-4-ylethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 66600224
(S)-4-(2-(5-fluoro-6-methoxypyridin-3-ylamino)-5-((3-methylmorpholino)methyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
CID 66611333
4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 66611334

Frequently Asked Questions

What is the IUPAC name of bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)?
The IUPAC name of bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine) (CID 162235999) is bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine).
What is the SMILES notation for bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)?
The canonical SMILES for bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine) is FC(F)(F)c1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.FC(F)(F)c1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.
What is the InChIKey of bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)?
The InChIKey is ZWBIAEAHWIZTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24F6N2O.2C23H23F3N4O.2C22H23FN4O/c2*27-25(28,29)20-9-11-23(12-10-20)35-24(19-5-2-1-3-6-19)18-33-13-15-34(16-14-33)22-8-4-7-21(17-22)26(30,31)32;2*24-23(25,26)19-7-9-20(10-8-19)31-21(18-5-2-1-3-6-18)17-29-13-15-30(16-14-29)22-27-11-4-12-28-22;2*23-19-7-9-20(10-8-19)28-21(18-5-2-1-3-6-18)17-26-13-15-27(16-14-26)22-24-11-4-12-25-22/h2*1-12,17,24H,13-16,18H2;2*1-12,21H,13-17H2;2*1-12,21H,13-17H2.
What are the key properties of bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)?
bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine) has a molecular weight of 2602.78 g/mol, XLogP of 29.32, 36 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(2-[4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazin-1-yl]pyrimidine);bis(1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine) is sourced from PubChem (CID 162235999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).