5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal

C11H22N2O2 — CID 142873436

IUPAC5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal
SMILESO=CCCCCN1CCN(CCO)CC1
InChIInChI=1S/C11H22N2O2/c14-10-3-1-2-4-12-5-7-13(8-6-12)9-11-15/h10,15H,1-9,11H2
InChIKeyPABJJAFDYTZTNU-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.03
Rot. Bonds7

About 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal

5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal (PubChem CID 142873436) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal.

Molecular Properties

Compound Name5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal
PubChem CID142873436
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal
SMILESO=CCCCCN1CCN(CCO)CC1
InChIInChI=1S/C11H22N2O2/c14-10-3-1-2-4-12-5-7-13(8-6-12)9-11-15/h10,15H,1-9,11H2
InChIKeyPABJJAFDYTZTNU-UHFFFAOYSA-N
XLogP-0.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-(4-methylpiperazin-1-yl)hexanal
CID 19781527
N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide
CID 87601203
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde
CID 126718821
3-[4-(3-oxopropyl)piperazin-1-yl]propanal
CID 137349424
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-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid
CID 132598884
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
25-hydroxypentacosanal
CID 90897330
34-hydroxytetratriacontanal
CID 123873694

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal?
The IUPAC name of 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal (CID 142873436) is 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal.
What is the SMILES notation for 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal?
The canonical SMILES for 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal is O=CCCCCN1CCN(CCO)CC1.
What is the InChIKey of 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal?
The InChIKey is PABJJAFDYTZTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c14-10-3-1-2-4-12-5-7-13(8-6-12)9-11-15/h10,15H,1-9,11H2.
What are the key properties of 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal?
5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal has a molecular weight of 214.31 g/mol, XLogP of -0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal is sourced from PubChem (CID 142873436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).