2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid

C12H24N2O5 — CID 176958923

IUPAC2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCCN1CCN(CCOCCO)CC1
InChIInChI=1S/C12H24N2O5/c15-7-10-18-8-5-13-1-3-14(4-2-13)6-9-19-11-12(16)17/h15H,1-11H2,(H,16,17)
InChIKeyLLEKJOSYVIMPCE-UHFFFAOYSA-N
MW276.33 g/mol
LogP-1.29
Rot. Bonds10

About 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid

2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid (PubChem CID 176958923) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
PubChem CID176958923
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCCN1CCN(CCOCCO)CC1
InChIInChI=1S/C12H24N2O5/c15-7-10-18-8-5-13-1-3-14(4-2-13)6-9-19-11-12(16)17/h15H,1-11H2,(H,16,17)
InChIKeyLLEKJOSYVIMPCE-UHFFFAOYSA-N
XLogP-1.29
TPSA82.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4,7-bis(carboxymethyl)-10-[2-(2-hydroxyethoxy)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19438545
ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
CID 156720121
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861
2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol
CID 62994663
(E)-3-cyclohexyl-3-hydroxy-2-(2,4,6-trimethylphenyl)prop-2-enoic acid;2-[2-[2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetic acid
CID 170976297
2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid
CID 167713960
2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid
CID 163629544
2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid
CID 104564764
2-[2-[[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]amino]ethoxy]acetic acid
CID 107224020
2-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-oxoethoxy]acetic acid
CID 61327126
1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one
CID 135174637

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid (CID 176958923) is 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid is O=C(O)COCCN1CCN(CCOCCO)CC1.
What is the InChIKey of 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid?
The InChIKey is LLEKJOSYVIMPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c15-7-10-18-8-5-13-1-3-14(4-2-13)6-9-19-11-12(16)17/h15H,1-11H2,(H,16,17).
What are the key properties of 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid?
2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid has a molecular weight of 276.33 g/mol, XLogP of -1.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid is sourced from PubChem (CID 176958923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).