2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde

C10H20N2O3 — CID 126718821

IUPAC2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde
SMILESO=CCOCCN1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O3/c13-7-5-11-1-3-12(4-2-11)6-9-15-10-8-14/h8,13H,1-7,9-10H2
InChIKeyZJIZYKQZVZGDSW-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.19
Rot. Bonds7

About 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde

2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde (PubChem CID 126718821) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde
PubChem CID126718821
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde
SMILESO=CCOCCN1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O3/c13-7-5-11-1-3-12(4-2-11)6-9-15-10-8-14/h8,13H,1-7,9-10H2
InChIKeyZJIZYKQZVZGDSW-UHFFFAOYSA-N
XLogP-1.19
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
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

methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde
CID 163291744
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde
CID 126718825
methanamine;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetaldehyde
CID 171070563
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal
CID 142873436
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-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
CID 138648065
2-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanol
CID 142367989
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide
CID 87601203
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
2-[4,7-bis(carboxymethyl)-10-[2-(2-hydroxyethoxy)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19438545

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde?
The IUPAC name of 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde (CID 126718821) is 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde is O=CCOCCN1CCN(CCO)CC1.
What is the InChIKey of 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde?
The InChIKey is ZJIZYKQZVZGDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c13-7-5-11-1-3-12(4-2-11)6-9-15-10-8-14/h8,13H,1-7,9-10H2.
What are the key properties of 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde?
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde has a molecular weight of 216.28 g/mol, XLogP of -1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde is sourced from PubChem (CID 126718821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).