2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride

C8H22Cl3N3O — CID 167741748

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
SMILESCl.Cl.Cl.NCCN1CCN(CCO)CC1
InChIInChI=1S/C8H19N3O.3ClH/c9-1-2-10-3-5-11(6-4-10)7-8-12;;;/h12H,1-9H2;3*1H
InChIKeyJYTGQLDQYFBGFB-UHFFFAOYSA-N
MW282.64 g/mol
LogP-0.18
Rot. Bonds4

About 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride

2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride (PubChem CID 167741748) has the molecular formula C8H22Cl3N3O and a molecular weight of 282.64 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
PubChem CID167741748
Molecular FormulaC8H22Cl3N3O
Molecular Weight282.64 g/mol
Exact Mass281.08
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
SMILESCl.Cl.Cl.NCCN1CCN(CCO)CC1
InChIInChI=1S/C8H19N3O.3ClH/c9-1-2-10-3-5-11(6-4-10)7-8-12;;;/h12H,1-9H2;3*1H
InChIKeyJYTGQLDQYFBGFB-UHFFFAOYSA-N
XLogP-0.18
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride 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

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-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethanol
CID 43253174
2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
CID 80698853
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
2-(aziridin-1-yl)ethanamine;dichloronickel
CID 15821369
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
2-(4-iodopiperazin-1-yl)ethanamine
CID 89179522
2-(4-methanidylpiperazin-1-yl)ethanol
CID 20723281
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 80695797
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride (CID 167741748) is 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride is Cl.Cl.Cl.NCCN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride?
The InChIKey is JYTGQLDQYFBGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O.3ClH/c9-1-2-10-3-5-11(6-4-10)7-8-12;;;/h12H,1-9H2;3*1H.
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride?
2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride has a molecular weight of 282.64 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride is sourced from PubChem (CID 167741748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).