1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine

C27H32N2O3 — CID 10574764

IUPAC1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccc(OC(CCN2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H32N2O3/c1-30-23-12-14-24(15-13-23)32-26(22-8-4-3-5-9-22)16-17-28-18-20-29(21-19-28)25-10-6-7-11-27(25)31-2/h3-15,26H,16-21H2,1-2H3
InChIKeyUJPPBKZKXYUAMB-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.04
Rot. Bonds9

About 1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine

1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 10574764) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine
PubChem CID10574764
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccc(OC(CCN2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H32N2O3/c1-30-23-12-14-24(15-13-23)32-26(22-8-4-3-5-9-22)16-17-28-18-20-29(21-19-28)25-10-6-7-11-27(25)31-2/h3-15,26H,16-21H2,1-2H3
InChIKeyUJPPBKZKXYUAMB-UHFFFAOYSA-N
XLogP5.04
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine (CID 10574764) is 1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine is COc1ccc(OC(CCN2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is UJPPBKZKXYUAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-30-23-12-14-24(15-13-23)32-26(22-8-4-3-5-9-22)16-17-28-18-20-29(21-19-28)25-10-6-7-11-27(25)31-2/h3-15,26H,16-21H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine?
1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 432.56 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenoxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 10574764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).