bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)

C172H198F8N22O8 — CID 161424524

IUPACbis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)
SMILESC.C.C.C.Cc1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.Cc1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.Cc1ccc(OC(CN2CCN(c3ccccc3CO)CC2)c2ccccc2)cc1.Cc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Cc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/2C26H27F3N2O.C26H30N2O2.2C23H26N4O.2C22H23FN4O.4CH4/c2*1-20-10-12-24(13-11-20)32-25(21-6-3-2-4-7-21)19-30-14-16-31(17-15-30)23-9-5-8-22(18-23)26(27,28)29;1-21-11-13-24(14-12-21)30-26(22-7-3-2-4-8-22)19-27-15-17-28(18-16-27)25-10-6-5-9-23(25)20-29;2*1-19-8-10-21(11-9-19)28-22(20-6-3-2-4-7-20)18-26-14-16-27(17-15-26)23-24-12-5-13-25-23;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*2-13,18,25H,14-17,19H2,1H3;2-14,26,29H,15-20H2,1H3;2*2-13,22H,14-18H2,1H3;2*1-12,21H,13-17H2;4*1H4
InChIKeyVXEJQWRSAJPSJB-UHFFFAOYSA-N
MW2853.61 g/mol
LogP33.46
Rot. Bonds43

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

bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine) (PubChem CID 161424524) has the molecular formula C172H198F8N22O8 and a molecular weight of 2853.61 g/mol. Its IUPAC name is bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine).

Molecular Properties

Compound Namebis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)
PubChem CID161424524
Molecular FormulaC172H198F8N22O8
Molecular Weight2853.61 g/mol
Exact Mass2851.56
IUPAC Namebis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)
SMILESC.C.C.C.Cc1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.Cc1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.Cc1ccc(OC(CN2CCN(c3ccccc3CO)CC2)c2ccccc2)cc1.Cc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Cc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/2C26H27F3N2O.C26H30N2O2.2C23H26N4O.2C22H23FN4O.4CH4/c2*1-20-10-12-24(13-11-20)32-25(21-6-3-2-4-7-21)19-30-14-16-31(17-15-30)23-9-5-8-22(18-23)26(27,28)29;1-21-11-13-24(14-12-21)30-26(22-7-3-2-4-8-22)19-27-15-17-28(18-16-27)25-10-6-5-9-23(25)20-29;2*1-19-8-10-21(11-9-19)28-22(20-6-3-2-4-7-20)18-26-14-16-27(17-15-26)23-24-12-5-13-25-23;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*2-13,18,25H,14-17,19H2,1H3;2-14,26,29H,15-20H2,1H3;2*2-13,22H,14-18H2,1H3;2*1-12,21H,13-17H2;4*1H4
InChIKeyVXEJQWRSAJPSJB-UHFFFAOYSA-N
XLogP33.46
TPSA233.32 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds43
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002853.61
LogP ≤ 533.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

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

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Related Compounds

N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]quinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide;N-[2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 87952665
2-[2-[(4-ethoxy-2,6-difluorophenyl)methylamino]benzenecarboximidoyl]-5-morpholin-4-yl-4-N,6-N-dipyridin-4-ylpyrimidine-4,6-diamine
CID 117612639
2-[4-[2-(4-Fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)
CID 123162547
2-(2,4-Difluorophenyl)-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;ethane;2-(3-fluorophenyl)-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol
CID 144947631
CID 157111127
CID 157111127
CID 157231012
CID 157231012
CID 157274586
CID 157274586
N-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-(3-fluoro-4-piperazin-1-ylphenyl)pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol
CID 157636659
5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;[2-[[5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]methanol
CID 157684385
CID 157692924
CID 157692924
CID 157720778
CID 157720778
CID 157725867
CID 157725867

Frequently Asked Questions

What is the IUPAC name of bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)?
The IUPAC name of bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine) (CID 161424524) is bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine).
What is the SMILES notation for bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)?
The canonical SMILES for bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine) is C.C.C.C.Cc1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.Cc1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.Cc1ccc(OC(CN2CCN(c3ccccc3CO)CC2)c2ccccc2)cc1.Cc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.Cc1ccc(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);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)?
The InChIKey is VXEJQWRSAJPSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H27F3N2O.C26H30N2O2.2C23H26N4O.2C22H23FN4O.4CH4/c2*1-20-10-12-24(13-11-20)32-25(21-6-3-2-4-7-21)19-30-14-16-31(17-15-30)23-9-5-8-22(18-23)26(27,28)29;1-21-11-13-24(14-12-21)30-26(22-7-3-2-4-8-22)19-27-15-17-28(18-16-27)25-10-6-5-9-23(25)20-29;2*1-19-8-10-21(11-9-19)28-22(20-6-3-2-4-7-20)18-26-14-16-27(17-15-26)23-24-12-5-13-25-23;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*2-13,18,25H,14-17,19H2,1H3;2-14,26,29H,15-20H2,1H3;2*2-13,22H,14-18H2,1H3;2*1-12,21H,13-17H2;4*1H4.
What are the key properties of bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine)?
bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine) has a molecular weight of 2853.61 g/mol, XLogP of 33.46, 43 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[4-[2-(4-fluorophenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);methane;[2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]phenyl]methanol;bis(2-[4-[2-(4-methylphenoxy)-2-phenylethyl]piperazin-1-yl]pyrimidine);bis(1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine) is sourced from PubChem (CID 161424524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).