ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine

C11H26N2O2 — CID 142390482

IUPACethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
SMILESCC.COCCOCCN1CCNCC1
InChIInChI=1S/C9H20N2O2.C2H6/c1-12-8-9-13-7-6-11-4-2-10-3-5-11;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyCIKHLWRCSUDUON-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.58
Rot. Bonds6

About ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine

ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine (PubChem CID 142390482) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine.

Molecular Properties

Compound Nameethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
PubChem CID142390482
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Nameethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
SMILESCC.COCCOCCN1CCNCC1
InChIInChI=1S/C9H20N2O2.C2H6/c1-12-8-9-13-7-6-11-4-2-10-3-5-11;1-2/h10H,2-9H2,1H3;1-2H3
InChIKeyCIKHLWRCSUDUON-UHFFFAOYSA-N
XLogP0.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 156802443
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CID 142367721
tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate
CID 90281059
1-(2-piperazin-1-ylethoxymethyl)piperazine
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2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate
CID 104562881
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908
4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567260
ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 170584628
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine?
The IUPAC name of ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine (CID 142390482) is ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine.
What is the SMILES notation for ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine?
The canonical SMILES for ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine is CC.COCCOCCN1CCNCC1.
What is the InChIKey of ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine?
The InChIKey is CIKHLWRCSUDUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.C2H6/c1-12-8-9-13-7-6-11-4-2-10-3-5-11;1-2/h10H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine?
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine is sourced from PubChem (CID 142390482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).