1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine

C15H19N3O — CID 82582646

IUPAC1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine
SMILESCOc1ccc2ccncc2c1N1CCC(N)CC1
InChIInChI=1S/C15H19N3O/c1-19-14-3-2-11-4-7-17-10-13(11)15(14)18-8-5-12(16)6-9-18/h2-4,7,10,12H,5-6,8-9,16H2,1H3
InChIKeyDYLLDVAVFQPWQP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds2

About 1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine

1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine (PubChem CID 82582646) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine
PubChem CID82582646
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine
SMILESCOc1ccc2ccncc2c1N1CCC(N)CC1
InChIInChI=1S/C15H19N3O/c1-19-14-3-2-11-4-7-17-10-13(11)15(14)18-8-5-12(16)6-9-18/h2-4,7,10,12H,5-6,8-9,16H2,1H3
InChIKeyDYLLDVAVFQPWQP-UHFFFAOYSA-N
XLogP2.17
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine?
The IUPAC name of 1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine (CID 82582646) is 1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine.
What is the SMILES notation for 1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine?
The canonical SMILES for 1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine is COc1ccc2ccncc2c1N1CCC(N)CC1.
What is the InChIKey of 1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine?
The InChIKey is DYLLDVAVFQPWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-14-3-2-11-4-7-17-10-13(11)15(14)18-8-5-12(16)6-9-18/h2-4,7,10,12H,5-6,8-9,16H2,1H3.
What are the key properties of 1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine?
1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxyisoquinolin-8-yl)piperidin-4-amine is sourced from PubChem (CID 82582646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).