2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol

C15H20N4O — CID 103137236

IUPAC2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol
SMILESNc1ccc(N2CCN(CCO)CC2)c2cnccc12
InChIInChI=1S/C15H20N4O/c16-14-1-2-15(13-11-17-4-3-12(13)14)19-7-5-18(6-8-19)9-10-20/h1-4,11,20H,5-10,16H2
InChIKeyWPHXOSFOABOLAV-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.93
Rot. Bonds3

About 2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol

2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol (PubChem CID 103137236) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol
PubChem CID103137236
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol
SMILESNc1ccc(N2CCN(CCO)CC2)c2cnccc12
InChIInChI=1S/C15H20N4O/c16-14-1-2-15(13-11-17-4-3-12(13)14)19-7-5-18(6-8-19)9-10-20/h1-4,11,20H,5-10,16H2
InChIKeyWPHXOSFOABOLAV-UHFFFAOYSA-N
XLogP0.93
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 81232649
2-[4-(3-chloro-4-pyridinyl)-1,4-diazepan-1-yl]ethanol
CID 79839795
2-[4-[3-(hydroxymethyl)-4-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107225535
1-(8-aminoisoquinolin-5-yl)pyrrolidine-3,4-diol
CID 106667448
8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine
CID 103139285
[1-(5-aminoisoquinolin-8-yl)azepan-2-yl]methanol
CID 103139323
8-(4-ethylpiperazin-1-yl)-5-methoxyisoquinoline
CID 69447418
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
8-N-(2-piperidin-1-ylethyl)isoquinoline-5,8-diamine
CID 103137737
4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile
CID 103138674
1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one
CID 43462485
5-N-[2-(4-methylpiperazin-1-yl)ethyl]isoquinoline-5,8-diamine
CID 60924256

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol (CID 103137236) is 2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol is Nc1ccc(N2CCN(CCO)CC2)c2cnccc12.
What is the InChIKey of 2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol?
The InChIKey is WPHXOSFOABOLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-14-1-2-15(13-11-17-4-3-12(13)14)19-7-5-18(6-8-19)9-10-20/h1-4,11,20H,5-10,16H2.
What are the key properties of 2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol?
2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol has a molecular weight of 272.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 103137236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).