6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

C20H28N4 — CID 70903875

IUPAC6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESCC1C=CCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)N1
InChIInChI=1S/C20H28N4/c1-14-3-2-4-19(23-14)16-11-15-5-8-22-13-18(15)20(12-16)24-17-6-9-21-10-7-17/h2-3,5,11-14,17,19,21-24H,4,6-10H2,1H3
InChIKeyAFDBJQBDBZFGHC-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.95
Rot. Bonds3

About 6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (PubChem CID 70903875) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
PubChem CID70903875
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESCC1C=CCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)N1
InChIInChI=1S/C20H28N4/c1-14-3-2-4-19(23-14)16-11-15-5-8-22-13-18(15)20(12-16)24-17-6-9-21-10-7-17/h2-3,5,11-14,17,19,21-24H,4,6-10H2,1H3
InChIKeyAFDBJQBDBZFGHC-UHFFFAOYSA-N
XLogP0.95
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-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 6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The IUPAC name of 6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (CID 70903875) is 6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is CC1C=CCC(c2cc(NC3CCNCC3)c3c(c2)=CCNC=3)N1.
What is the InChIKey of 6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The InChIKey is AFDBJQBDBZFGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-14-3-2-4-19(23-14)16-11-15-5-8-22-13-18(15)20(12-16)24-17-6-9-21-10-7-17/h2-3,5,11-14,17,19,21-24H,4,6-10H2,1H3.
What are the key properties of 6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine has a molecular weight of 324.47 g/mol, XLogP of 0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is sourced from PubChem (CID 70903875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).