2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine

C11H25N3O2 — CID 174949744

IUPAC2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1.OCCNCCO
InChIInChI=1S/C7H14N2.C4H11NO2/c1-2-5-9-6-3-8-4-7-9;6-3-1-5-2-4-7/h2,8H,1,3-7H2;5-7H,1-4H2
InChIKeyJMGBOJDGLKSSTK-UHFFFAOYSA-N
MW231.34 g/mol
LogP-1.36
Rot. Bonds6

About 2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine

2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine (PubChem CID 174949744) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine
PubChem CID174949744
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1.OCCNCCO
InChIInChI=1S/C7H14N2.C4H11NO2/c1-2-5-9-6-3-8-4-7-9;6-3-1-5-2-4-7/h2,8H,1,3-7H2;5-7H,1-4H2
InChIKeyJMGBOJDGLKSSTK-UHFFFAOYSA-N
XLogP-1.36
TPSA67.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 4739633
CID 4739633
CID 28563520
CID 28563520
CID 40475220
CID 40475220
CID 66821299
CID 66821299
CID 66821301
CID 66821301
CID 66959068
CID 66959068
CID 66959069
CID 66959069
CID 67023773
CID 67023773
CID 67260912
CID 67260912
CID 87065199
CID 87065199
CID 88111562
CID 88111562
CID 88158987
CID 88158987

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine (CID 174949744) is 2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine is C=CCN1CCNCC1.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine?
The InChIKey is JMGBOJDGLKSSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C4H11NO2/c1-2-5-9-6-3-8-4-7-9;6-3-1-5-2-4-7/h2,8H,1,3-7H2;5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine?
2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine has a molecular weight of 231.34 g/mol, XLogP of -1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;1-prop-2-enylpiperazine is sourced from PubChem (CID 174949744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).