1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol

C13H23N5O2 — CID 145484897

IUPAC1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol
SMILESCC(O)NCCN1CCN(C(O)c2cnccn2)CC1
InChIInChI=1S/C13H23N5O2/c1-11(19)15-4-5-17-6-8-18(9-7-17)13(20)12-10-14-2-3-16-12/h2-3,10-11,13,15,19-20H,4-9H2,1H3
InChIKeyYKGHTVZJVGZSOF-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.99
Rot. Bonds6

About 1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol

1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol (PubChem CID 145484897) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol.

Molecular Properties

Compound Name1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol
PubChem CID145484897
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol
SMILESCC(O)NCCN1CCN(C(O)c2cnccn2)CC1
InChIInChI=1S/C13H23N5O2/c1-11(19)15-4-5-17-6-8-18(9-7-17)13(20)12-10-14-2-3-16-12/h2-3,10-11,13,15,19-20H,4-9H2,1H3
InChIKeyYKGHTVZJVGZSOF-UHFFFAOYSA-N
XLogP-0.99
TPSA84.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol?
The IUPAC name of 1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol (CID 145484897) is 1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol.
What is the SMILES notation for 1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol?
The canonical SMILES for 1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol is CC(O)NCCN1CCN(C(O)c2cnccn2)CC1.
What is the InChIKey of 1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol?
The InChIKey is YKGHTVZJVGZSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-11(19)15-4-5-17-6-8-18(9-7-17)13(20)12-10-14-2-3-16-12/h2-3,10-11,13,15,19-20H,4-9H2,1H3.
What are the key properties of 1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol?
1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol has a molecular weight of 281.36 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[hydroxy(pyrazin-2-yl)methyl]piperazin-1-yl]ethylamino]ethanol is sourced from PubChem (CID 145484897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).