2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine

C22H46N6O2 — CID 134582821

IUPAC2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
SMILESCOCCN1CCN(CC(OC)C2CN(CCN3CCN(C)CC3)CCN2C)CC1
InChIInChI=1S/C22H46N6O2/c1-23-5-8-25(9-6-23)11-14-27-10-7-24(2)21(19-27)22(30-4)20-28-15-12-26(13-16-28)17-18-29-3/h21-22H,5-20H2,1-4H3
InChIKeyQVIHICYURJRSBE-UHFFFAOYSA-N
MW426.65 g/mol
LogP-0.87
Rot. Bonds10

About 2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine

2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine (PubChem CID 134582821) has the molecular formula C22H46N6O2 and a molecular weight of 426.65 g/mol. Its IUPAC name is 2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
PubChem CID134582821
Molecular FormulaC22H46N6O2
Molecular Weight426.65 g/mol
Exact Mass426.37
IUPAC Name2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
SMILESCOCCN1CCN(CC(OC)C2CN(CCN3CCN(C)CC3)CCN2C)CC1
InChIInChI=1S/C22H46N6O2/c1-23-5-8-25(9-6-23)11-14-27-10-7-24(2)21(19-27)22(30-4)20-28-15-12-26(13-16-28)17-18-29-3/h21-22H,5-20H2,1-4H3
InChIKeyQVIHICYURJRSBE-UHFFFAOYSA-N
XLogP-0.87
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
The IUPAC name of 2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine (CID 134582821) is 2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine.
What is the SMILES notation for 2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
The canonical SMILES for 2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine is COCCN1CCN(CC(OC)C2CN(CCN3CCN(C)CC3)CCN2C)CC1.
What is the InChIKey of 2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
The InChIKey is QVIHICYURJRSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N6O2/c1-23-5-8-25(9-6-23)11-14-27-10-7-24(2)21(19-27)22(30-4)20-28-15-12-26(13-16-28)17-18-29-3/h21-22H,5-20H2,1-4H3.
What are the key properties of 2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine?
2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine has a molecular weight of 426.65 g/mol, XLogP of -0.87, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxy-2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine is sourced from PubChem (CID 134582821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).