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

C16H21N3 — CID 82570767

IUPAC3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine
SMILESCc1cc2c(N)cccc2c(N2CCC(C)CC2)n1
InChIInChI=1S/C16H21N3/c1-11-6-8-19(9-7-11)16-13-4-3-5-15(17)14(13)10-12(2)18-16/h3-5,10-11H,6-9,17H2,1-2H3
InChIKeyRFZFROIZPJUQHZ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.36
Rot. Bonds1

About 3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine

3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine (PubChem CID 82570767) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine
PubChem CID82570767
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine
SMILESCc1cc2c(N)cccc2c(N2CCC(C)CC2)n1
InChIInChI=1S/C16H21N3/c1-11-6-8-19(9-7-11)16-13-4-3-5-15(17)14(13)10-12(2)18-16/h3-5,10-11H,6-9,17H2,1-2H3
InChIKeyRFZFROIZPJUQHZ-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine?
The IUPAC name of 3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine (CID 82570767) is 3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine.
What is the SMILES notation for 3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine?
The canonical SMILES for 3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine is Cc1cc2c(N)cccc2c(N2CCC(C)CC2)n1.
What is the InChIKey of 3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine?
The InChIKey is RFZFROIZPJUQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-6-8-19(9-7-11)16-13-4-3-5-15(17)14(13)10-12(2)18-16/h3-5,10-11H,6-9,17H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine?
3-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 3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine is sourced from PubChem (CID 82570767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).