1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine

C17H24N4 — CID 103143686

IUPAC1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cccc2ccncc12)C1CN(C)CCN1C
InChIInChI=1S/C17H24N4/c1-18-17(16-12-20(2)9-10-21(16)3)14-6-4-5-13-7-8-19-11-15(13)14/h4-8,11,16-18H,9-10,12H2,1-3H3
InChIKeyFYPWAHLGFXQLOF-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.74
Rot. Bonds3

About 1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine

1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine (PubChem CID 103143686) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
PubChem CID103143686
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cccc2ccncc12)C1CN(C)CCN1C
InChIInChI=1S/C17H24N4/c1-18-17(16-12-20(2)9-10-21(16)3)14-6-4-5-13-7-8-19-11-15(13)14/h4-8,11,16-18H,9-10,12H2,1-3H3
InChIKeyFYPWAHLGFXQLOF-UHFFFAOYSA-N
XLogP1.74
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708352
1-(2,2-dimethylcyclopropyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 107005206
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425
1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 103136814
1-(1,4-dithian-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103143696
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 81229525
isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol
CID 103143463
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
2-(3-chloro-4-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658432
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
CID 106444807

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine (CID 103143686) is 1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine is CNC(c1cccc2ccncc12)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
The InChIKey is FYPWAHLGFXQLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-18-17(16-12-20(2)9-10-21(16)3)14-6-4-5-13-7-8-19-11-15(13)14/h4-8,11,16-18H,9-10,12H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
1-(1,4-dimethylpiperazin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine has a molecular weight of 284.41 g/mol, XLogP of 1.74, 3 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)-1-isoquinolin-8-yl-N-methylmethanamine is sourced from PubChem (CID 103143686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).