N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine

C15H20N4 — CID 82572802

IUPACN,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine
SMILESCN(C)c1nccc2cccc(N3CCNCC3)c12
InChIInChI=1S/C15H20N4/c1-18(2)15-14-12(6-7-17-15)4-3-5-13(14)19-10-8-16-9-11-19/h3-7,16H,8-11H2,1-2H3
InChIKeyBHIKVPIDEKPZIZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.71
Rot. Bonds2

About N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine

N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine (PubChem CID 82572802) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine
PubChem CID82572802
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine
SMILESCN(C)c1nccc2cccc(N3CCNCC3)c12
InChIInChI=1S/C15H20N4/c1-18(2)15-14-12(6-7-17-15)4-3-5-13(14)19-10-8-16-9-11-19/h3-7,16H,8-11H2,1-2H3
InChIKeyBHIKVPIDEKPZIZ-UHFFFAOYSA-N
XLogP1.71
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine 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

8-methyl-1-piperazin-1-ylisoquinoline
CID 82571211
1-(dimethylamino)isoquinolin-8-ol
CID 136693438
8-piperazin-1-ylisoquinoline
CID 21070960
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
5,8-dimethyl-4-piperazin-1-ylquinoline
CID 43840516
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine
CID 82572817
N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
CID 103278373
2-methyl-5-piperazin-1-ylquinazoline
CID 57444358
2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 121204943
5-piperazin-1-ylquinoline
CID 10656226
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine
CID 123348246

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine?
The IUPAC name of N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine (CID 82572802) is N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine.
What is the SMILES notation for N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine?
The canonical SMILES for N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine is CN(C)c1nccc2cccc(N3CCNCC3)c12.
What is the InChIKey of N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine?
The InChIKey is BHIKVPIDEKPZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18(2)15-14-12(6-7-17-15)4-3-5-13(14)19-10-8-16-9-11-19/h3-7,16H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine?
N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine has a molecular weight of 256.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-piperazin-1-ylisoquinolin-1-amine is sourced from PubChem (CID 82572802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).