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)

C100H107F7N10O5 — CID 123162547

About 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)

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) (PubChem CID 123162547) has the molecular formula C100H107F7N10O5 and a molecular weight of 1662.01 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 123162547
• Molecular Formula: C100H107F7N10O5
• Molecular Weight: 1662.01 g/mol
• Exact Mass: 1660.83
• IUPAC Name: 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)
• SMILES: 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.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1
• InChI: InChI=1S/2C26H27F3N2O.C26H30N2O2.C22H23FN4O/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;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;1-12,21H,13-17H2
• InChIKey: SUZKDJOLILYLGJ-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 108.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1662.01
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is 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.Fc1ccc(OC(CN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.

What is the InChIKey of 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)?

The InChIKey is SUZKDJOLILYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H27F3N2O.C26H30N2O2.C22H23FN4O/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;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;1-12,21H,13-17H2.

What are the key properties of 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)?

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) has a molecular weight of 1662.01 g/mol, XLogP of 19.90, 25 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 123162547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).