2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine

C16H22N4 — CID 104504037

IUPAC2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2cncc3ccccc23)CC1
InChIInChI=1S/C16H22N4/c1-19-6-8-20(9-7-19)16(10-17)15-12-18-11-13-4-2-3-5-14(13)15/h2-5,11-12,16H,6-10,17H2,1H3
InChIKeyOFHUSHNCIWTNRY-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.48
Rot. Bonds3

About 2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine

2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 104504037) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID104504037
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2cncc3ccccc23)CC1
InChIInChI=1S/C16H22N4/c1-19-6-8-20(9-7-19)16(10-17)15-12-18-11-13-4-2-3-5-14(13)15/h2-5,11-12,16H,6-10,17H2,1H3
InChIKeyOFHUSHNCIWTNRY-UHFFFAOYSA-N
XLogP1.48
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-2-isoquinolin-4-ylethanamine
CID 104504039
2-isoquinolin-4-yl-2-(2-methylpiperidin-1-yl)ethanamine
CID 104504036
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
(1,4-dimethylpiperazin-2-yl)-isoquinolin-4-ylmethanol
CID 79659479
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-(4-methyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanamine
CID 43209319
N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine
CID 104504006
2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 62392810
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84745591

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine (CID 104504037) is 2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(C(CN)c2cncc3ccccc23)CC1.
What is the InChIKey of 2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is OFHUSHNCIWTNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-6-8-20(9-7-19)16(10-17)15-12-18-11-13-4-2-3-5-14(13)15/h2-5,11-12,16H,6-10,17H2,1H3.
What are the key properties of 2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine?
2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 270.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 104504037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).