1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine

C25H36N4O — CID 51000974

IUPAC1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine
SMILESCOCCN1CCN(C(CN2CCN(c3ccccc3)CC2)c2ccccc2)CC1
InChIInChI=1S/C25H36N4O/c1-30-21-20-26-12-18-29(19-13-26)25(23-8-4-2-5-9-23)22-27-14-16-28(17-15-27)24-10-6-3-7-11-24/h2-11,25H,12-22H2,1H3
InChIKeyGLYHLVCRYRDKDM-UHFFFAOYSA-N
MW408.59 g/mol
LogP2.81
Rot. Bonds8

About 1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine

1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine (PubChem CID 51000974) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine
PubChem CID51000974
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Name1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine
SMILESCOCCN1CCN(C(CN2CCN(c3ccccc3)CC2)c2ccccc2)CC1
InChIInChI=1S/C25H36N4O/c1-30-21-20-26-12-18-29(19-13-26)25(23-8-4-2-5-9-23)22-27-14-16-28(17-15-27)24-10-6-3-7-11-24/h2-11,25H,12-22H2,1H3
InChIKeyGLYHLVCRYRDKDM-UHFFFAOYSA-N
XLogP2.81
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine (CID 51000974) is 1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine is COCCN1CCN(C(CN2CCN(c3ccccc3)CC2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine?
The InChIKey is GLYHLVCRYRDKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-30-21-20-26-12-18-29(19-13-26)25(23-8-4-2-5-9-23)22-27-14-16-28(17-15-27)24-10-6-3-7-11-24/h2-11,25H,12-22H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine?
1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine has a molecular weight of 408.59 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]piperazine is sourced from PubChem (CID 51000974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).