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

C22H28Cl2N2O4 — CID 2885681

IUPAC1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccccc1Cl)CN1CCN(CC(O)COc2ccccc2Cl)CC1
InChIInChI=1S/C22H28Cl2N2O4/c23-19-5-1-3-7-21(19)29-15-17(27)13-25-9-11-26(12-10-25)14-18(28)16-30-22-8-4-2-6-20(22)24/h1-8,17-18,27-28H,9-16H2
InChIKeyWFOUUWQZTHAZJG-UHFFFAOYSA-N
MW455.38 g/mol
LogP2.79
Rot. Bonds10

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

1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (PubChem CID 2885681) has the molecular formula C22H28Cl2N2O4 and a molecular weight of 455.38 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
PubChem CID2885681
Molecular FormulaC22H28Cl2N2O4
Molecular Weight455.38 g/mol
Exact Mass454.14
IUPAC Name1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccccc1Cl)CN1CCN(CC(O)COc2ccccc2Cl)CC1
InChIInChI=1S/C22H28Cl2N2O4/c23-19-5-1-3-7-21(19)29-15-17(27)13-25-9-11-26(12-10-25)14-18(28)16-30-22-8-4-2-6-20(22)24/h1-8,17-18,27-28H,9-16H2
InChIKeyWFOUUWQZTHAZJG-UHFFFAOYSA-N
XLogP2.79
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (CID 2885681) is 1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is OC(COc1ccccc1Cl)CN1CCN(CC(O)COc2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The InChIKey is WFOUUWQZTHAZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N2O4/c23-19-5-1-3-7-21(19)29-15-17(27)13-25-9-11-26(12-10-25)14-18(28)16-30-22-8-4-2-6-20(22)24/h1-8,17-18,27-28H,9-16H2.
What are the key properties of 1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol has a molecular weight of 455.38 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2885681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).