7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine

C16H21N3 — CID 82570352

IUPAC7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine
SMILESCc1cc(N)c2ccnc(N3CCC(C)CC3)c2c1
InChIInChI=1S/C16H21N3/c1-11-4-7-19(8-5-11)16-14-9-12(2)10-15(17)13(14)3-6-18-16/h3,6,9-11H,4-5,7-8,17H2,1-2H3
InChIKeyPERKKSLATAMTIC-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.36
Rot. Bonds1

About 7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine

7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine (PubChem CID 82570352) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine.

Molecular Properties

Compound Name7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine
PubChem CID82570352
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine
SMILESCc1cc(N)c2ccnc(N3CCC(C)CC3)c2c1
InChIInChI=1S/C16H21N3/c1-11-4-7-19(8-5-11)16-14-9-12(2)10-15(17)13(14)3-6-18-16/h3,6,9-11H,4-5,7-8,17H2,1-2H3
InChIKeyPERKKSLATAMTIC-UHFFFAOYSA-N
XLogP3.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine?
The IUPAC name of 7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine (CID 82570352) is 7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine.
What is the SMILES notation for 7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine?
The canonical SMILES for 7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine is Cc1cc(N)c2ccnc(N3CCC(C)CC3)c2c1.
What is the InChIKey of 7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine?
The InChIKey is PERKKSLATAMTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-4-7-19(8-5-11)16-14-9-12(2)10-15(17)13(14)3-6-18-16/h3,6,9-11H,4-5,7-8,17H2,1-2H3.
What are the key properties of 7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine?
7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine has a molecular weight of 255.37 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine is sourced from PubChem (CID 82570352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).