4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium

C20H42N4O2+2 — CID 3066859

IUPAC4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium
SMILESCC[N+]1(CCN2CCN(CC[N+]3(CC)CCOCC3)CC2)CCOCC1
InChIInChI=1S/C20H42N4O2/c1-3-23(13-17-25-18-14-23)11-9-21-5-7-22(8-6-21)10-12-24(4-2)15-19-26-20-16-24/h3-20H2,1-2H3/q+2
InChIKeyDRKLCWSYHGBGCT-UHFFFAOYSA-N
MW370.58 g/mol
LogP0.34
Rot. Bonds8

About 4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium

4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium (PubChem CID 3066859) has the molecular formula C20H42N4O2+2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium
PubChem CID3066859
Molecular FormulaC20H42N4O2+2
Molecular Weight370.58 g/mol
Exact Mass370.33
IUPAC Name4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium
SMILESCC[N+]1(CCN2CCN(CC[N+]3(CC)CCOCC3)CC2)CCOCC1
InChIInChI=1S/C20H42N4O2/c1-3-23(13-17-25-18-14-23)11-9-21-5-7-22(8-6-21)10-12-24(4-2)15-19-26-20-16-24/h3-20H2,1-2H3/q+2
InChIKeyDRKLCWSYHGBGCT-UHFFFAOYSA-N
XLogP0.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium?
The IUPAC name of 4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium (CID 3066859) is 4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium.
What is the SMILES notation for 4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium?
The canonical SMILES for 4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium is CC[N+]1(CCN2CCN(CC[N+]3(CC)CCOCC3)CC2)CCOCC1.
What is the InChIKey of 4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium?
The InChIKey is DRKLCWSYHGBGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4O2/c1-3-23(13-17-25-18-14-23)11-9-21-5-7-22(8-6-21)10-12-24(4-2)15-19-26-20-16-24/h3-20H2,1-2H3/q+2.
What are the key properties of 4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium?
4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium has a molecular weight of 370.58 g/mol, XLogP of 0.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium is sourced from PubChem (CID 3066859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).