2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol

C16H34N4O2 — CID 100986630

IUPAC2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
SMILESCCN1CCN(CCOCCN2CCN(CCO)CC2)CC1
InChIInChI=1S/C16H34N4O2/c1-2-17-3-5-19(6-4-17)12-15-22-16-13-20-9-7-18(8-10-20)11-14-21/h21H,2-16H2,1H3
InChIKeyQTLHTSOBRCJHKW-UHFFFAOYSA-N
MW314.47 g/mol
LogP-0.75
Rot. Bonds9

About 2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol

2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol (PubChem CID 100986630) has the molecular formula C16H34N4O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
PubChem CID100986630
Molecular FormulaC16H34N4O2
Molecular Weight314.47 g/mol
Exact Mass314.27
IUPAC Name2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
SMILESCCN1CCN(CCOCCN2CCN(CCO)CC2)CC1
InChIInChI=1S/C16H34N4O2/c1-2-17-3-5-19(6-4-17)12-15-22-16-13-20-9-7-18(8-10-20)11-14-21/h21H,2-16H2,1H3
InChIKeyQTLHTSOBRCJHKW-UHFFFAOYSA-N
XLogP-0.75
TPSA42.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
CID 138648065
bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)
CID 161496003
2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol
CID 142367989
2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
CID 138647980
ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
CID 156720121
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde
CID 126718821
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155751864
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol
CID 14611743
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol (CID 100986630) is 2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol is CCN1CCN(CCOCCN2CCN(CCO)CC2)CC1.
What is the InChIKey of 2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol?
The InChIKey is QTLHTSOBRCJHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O2/c1-2-17-3-5-19(6-4-17)12-15-22-16-13-20-9-7-18(8-10-20)11-14-21/h21H,2-16H2,1H3.
What are the key properties of 2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol?
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol has a molecular weight of 314.47 g/mol, XLogP of -0.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 100986630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).