2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate

C11H20N2O4 — CID 143019040

IUPAC2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCN1CCN(C=O)CC1
InChIInChI=1S/C11H20N2O4/c1-11(15)17-9-8-16-7-6-12-2-4-13(10-14)5-3-12/h10H,2-9H2,1H3
InChIKeyQWEJJVPVJSGQPC-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.66
Rot. Bonds7

About 2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate

2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate (PubChem CID 143019040) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate
PubChem CID143019040
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCN1CCN(C=O)CC1
InChIInChI=1S/C11H20N2O4/c1-11(15)17-9-8-16-7-6-12-2-4-13(10-14)5-3-12/h10H,2-9H2,1H3
InChIKeyQWEJJVPVJSGQPC-UHFFFAOYSA-N
XLogP-0.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid
CID 70086364
2-(4-formylpiperazin-1-yl)ethyl formate
CID 13468187
2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate
CID 159707126
4-(3-aminopropyl)piperazine-1-carbaldehyde
CID 21054641
4-butylpiperazine-1-carbaldehyde;ethane
CID 164877634
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571
2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperazin-1-yl]acetic acid
CID 104564764
2-[2-[3-(4-methylpiperazin-1-yl)propanoyloxy]ethoxy]ethyl 3-(4-methylpiperazin-1-yl)propanoate
CID 59193459
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
N-[3-(4,7-diformyl-1,4,7-triazonan-1-yl)propyl]-2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetamide
CID 45276064
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183
2-(2-prop-2-enoxyethoxy)ethyl acetate
CID 525147

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate?
The IUPAC name of 2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate (CID 143019040) is 2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate is CC(=O)OCCOCCN1CCN(C=O)CC1.
What is the InChIKey of 2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate?
The InChIKey is QWEJJVPVJSGQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(15)17-9-8-16-7-6-12-2-4-13(10-14)5-3-12/h10H,2-9H2,1H3.
What are the key properties of 2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate?
2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate has a molecular weight of 244.29 g/mol, XLogP of -0.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate is sourced from PubChem (CID 143019040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).