1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol

C22H28F2N2O4 — CID 18288832

IUPAC1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccc(F)cc1)CN1CCN(CC(O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28F2N2O4/c23-17-1-5-21(6-2-17)29-15-19(27)13-25-9-11-26(12-10-25)14-20(28)16-30-22-7-3-18(24)4-8-22/h1-8,19-20,27-28H,9-16H2
InChIKeySQNPBMHHMRIHOI-UHFFFAOYSA-N
MW422.47 g/mol
LogP1.76
Rot. Bonds10

About 1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol

1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (PubChem CID 18288832) has the molecular formula C22H28F2N2O4 and a molecular weight of 422.47 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
PubChem CID18288832
Molecular FormulaC22H28F2N2O4
Molecular Weight422.47 g/mol
Exact Mass422.20
IUPAC Name1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccc(F)cc1)CN1CCN(CC(O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28F2N2O4/c23-17-1-5-21(6-2-17)29-15-19(27)13-25-9-11-26(12-10-25)14-20(28)16-30-22-7-3-18(24)4-8-22/h1-8,19-20,27-28H,9-16H2
InChIKeySQNPBMHHMRIHOI-UHFFFAOYSA-N
XLogP1.76
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (CID 18288832) is 1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is OC(COc1ccc(F)cc1)CN1CCN(CC(O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The InChIKey is SQNPBMHHMRIHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O4/c23-17-1-5-21(6-2-17)29-15-19(27)13-25-9-11-26(12-10-25)14-20(28)16-30-22-7-3-18(24)4-8-22/h1-8,19-20,27-28H,9-16H2.
What are the key properties of 1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol has a molecular weight of 422.47 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 18288832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).