1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine

C17H24N4 — CID 115748426

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine
SMILESCN1CCN(C)C(CNCc2cncc3ccccc23)C1
InChIInChI=1S/C17H24N4/c1-20-7-8-21(2)16(13-20)12-19-11-15-10-18-9-14-5-3-4-6-17(14)15/h3-6,9-10,16,19H,7-8,11-13H2,1-2H3
InChIKeyFMIKVBQBJQAPAI-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.57
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine

1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine (PubChem CID 115748426) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine
PubChem CID115748426
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine
SMILESCN1CCN(C)C(CNCc2cncc3ccccc23)C1
InChIInChI=1S/C17H24N4/c1-20-7-8-21(2)16(13-20)12-19-11-15-10-18-9-14-5-3-4-6-17(14)15/h3-6,9-10,16,19H,7-8,11-13H2,1-2H3
InChIKeyFMIKVBQBJQAPAI-UHFFFAOYSA-N
XLogP1.57
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine 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

N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine
CID 104504006
N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 55118761
N-(isoquinolin-4-ylmethyl)-1-(oxan-4-yl)methanamine
CID 112702944
1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 63897981
1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 63899142
N-[(2,5-dimethylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63899121
3-[(isoquinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 103823537
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63896300
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
2-cyclobutyl-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748530
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 63897427
2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol
CID 63896856

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine (CID 115748426) is 1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine is CN1CCN(C)C(CNCc2cncc3ccccc23)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine?
The InChIKey is FMIKVBQBJQAPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20-7-8-21(2)16(13-20)12-19-11-15-10-18-9-14-5-3-4-6-17(14)15/h3-6,9-10,16,19H,7-8,11-13H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine has a molecular weight of 284.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine is sourced from PubChem (CID 115748426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).