7-methoxy-N-piperidin-1-ylisoquinolin-1-amine

C15H19N3O — CID 106539299

IUPAC7-methoxy-N-piperidin-1-ylisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NN3CCCCC3)c2c1
InChIInChI=1S/C15H19N3O/c1-19-13-6-5-12-7-8-16-15(14(12)11-13)17-18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyXZYZLBSOWNHCNW-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.06
Rot. Bonds3

About 7-methoxy-N-piperidin-1-ylisoquinolin-1-amine

7-methoxy-N-piperidin-1-ylisoquinolin-1-amine (PubChem CID 106539299) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 7-methoxy-N-piperidin-1-ylisoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-piperidin-1-ylisoquinolin-1-amine
PubChem CID106539299
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name7-methoxy-N-piperidin-1-ylisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NN3CCCCC3)c2c1
InChIInChI=1S/C15H19N3O/c1-19-13-6-5-12-7-8-16-15(14(12)11-13)17-18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyXZYZLBSOWNHCNW-UHFFFAOYSA-N
XLogP3.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-piperidin-1-ylisoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-piperidin-1-ylisoquinolin-1-amine (CID 106539299) is 7-methoxy-N-piperidin-1-ylisoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-piperidin-1-ylisoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-piperidin-1-ylisoquinolin-1-amine is COc1ccc2ccnc(NN3CCCCC3)c2c1.
What is the InChIKey of 7-methoxy-N-piperidin-1-ylisoquinolin-1-amine?
The InChIKey is XZYZLBSOWNHCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-13-6-5-12-7-8-16-15(14(12)11-13)17-18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of 7-methoxy-N-piperidin-1-ylisoquinolin-1-amine?
7-methoxy-N-piperidin-1-ylisoquinolin-1-amine has a molecular weight of 257.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-piperidin-1-ylisoquinolin-1-amine is sourced from PubChem (CID 106539299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).