N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine

C15H20N4 — CID 104504006

IUPACN-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2cncc3ccccc23)CC1
InChIInChI=1S/C15H20N4/c1-18-6-8-19(9-7-18)17-12-14-11-16-10-13-4-2-3-5-15(13)14/h2-5,10-11,17H,6-9,12H2,1H3
InChIKeySGNKIHPDTCBAGY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.49
Rot. Bonds3

About N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine

N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine (PubChem CID 104504006) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine
PubChem CID104504006
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2cncc3ccccc23)CC1
InChIInChI=1S/C15H20N4/c1-18-6-8-19(9-7-18)17-12-14-11-16-10-13-4-2-3-5-15(13)14/h2-5,10-11,17H,6-9,12H2,1H3
InChIKeySGNKIHPDTCBAGY-UHFFFAOYSA-N
XLogP1.49
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 115748426
N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine
CID 112702946
isoquinolin-4-ylmethanethiol
CID 104505444
2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline
CID 104503929
4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine
CID 80503081
(1R)-N-(isoquinolin-4-ylmethyl)-1-pyridin-4-ylethanamine
CID 104503981
N-(isoquinolin-4-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 115904955
N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 115748244
N-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperazin-1-amine
CID 115959485
2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine
CID 104504037
1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 103823450
1-isoquinolin-4-yl-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103823588

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine (CID 104504006) is N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine is CN1CCN(NCc2cncc3ccccc23)CC1.
What is the InChIKey of N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine?
The InChIKey is SGNKIHPDTCBAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-6-8-19(9-7-18)17-12-14-11-16-10-13-4-2-3-5-15(13)14/h2-5,10-11,17H,6-9,12H2,1H3.
What are the key properties of N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine?
N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine has a molecular weight of 256.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-4-ylmethyl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 104504006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).