3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine

C28H34N2O — CID 67576444

IUPAC3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine
SMILESCOC(CC1CN(CCCc2ccccc2)CCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34N2O/c1-31-28(25-15-7-3-8-16-25,26-17-9-4-10-18-26)22-27-23-30(21-19-29-27)20-11-14-24-12-5-2-6-13-24/h2-10,12-13,15-18,27,29H,11,14,19-23H2,1H3
InChIKeyDGZXVTOTVBOCTF-UHFFFAOYSA-N
MW414.59 g/mol
LogP4.87
Rot. Bonds9

About 3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine

3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine (PubChem CID 67576444) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is 3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine
PubChem CID67576444
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC Name3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine
SMILESCOC(CC1CN(CCCc2ccccc2)CCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34N2O/c1-31-28(25-15-7-3-8-16-25,26-17-9-4-10-18-26)22-27-23-30(21-19-29-27)20-11-14-24-12-5-2-6-13-24/h2-10,12-13,15-18,27,29H,11,14,19-23H2,1H3
InChIKeyDGZXVTOTVBOCTF-UHFFFAOYSA-N
XLogP4.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine?
The IUPAC name of 3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine (CID 67576444) is 3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine.
What is the SMILES notation for 3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine?
The canonical SMILES for 3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine is COC(CC1CN(CCCc2ccccc2)CCN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine?
The InChIKey is DGZXVTOTVBOCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-31-28(25-15-7-3-8-16-25,26-17-9-4-10-18-26)22-27-23-30(21-19-29-27)20-11-14-24-12-5-2-6-13-24/h2-10,12-13,15-18,27,29H,11,14,19-23H2,1H3.
What are the key properties of 3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine?
3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine has a molecular weight of 414.59 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2,2-diphenylethyl)-1-(3-phenylpropyl)piperazine is sourced from PubChem (CID 67576444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).