1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol

C23H29F3N2O5 — CID 15634210

About 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol

1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol (PubChem CID 15634210) has the molecular formula C23H29F3N2O5 and a molecular weight of 470.49 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
• PubChem CID: 15634210
• Molecular Formula: C23H29F3N2O5
• Molecular Weight: 470.49 g/mol
• Exact Mass: 470.20
• IUPAC Name: 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
• SMILES: COc1cc(OCC(O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC
• InChI: InChI=1S/C23H29F3N2O5/c1-30-20-12-19(13-21(31-2)22(20)32-3)33-15-18(29)14-27-7-9-28(10-8-27)17-6-4-5-16(11-17)23(24,25)26/h4-6,11-13,18,29H,7-10,14-15H2,1-3H3
• InChIKey: KOFAZONORSDHQT-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 63.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.49
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol?

The IUPAC name of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol (CID 15634210) is 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol.

What is the SMILES notation for 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol?

The canonical SMILES for 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol is COc1cc(OCC(O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC.

What is the InChIKey of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol?

The InChIKey is KOFAZONORSDHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N2O5/c1-30-20-12-19(13-21(31-2)22(20)32-3)33-15-18(29)14-27-7-9-28(10-8-27)17-6-4-5-16(11-17)23(24,25)26/h4-6,11-13,18,29H,7-10,14-15H2,1-3H3.

What are the key properties of 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol?

1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol has a molecular weight of 470.49 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol is sourced from PubChem (CID 15634210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).