7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine

C15H18FN3 — CID 82572373

IUPAC7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine
SMILESCNc1cnc(N2CCCCC2)c2cc(F)ccc12
InChIInChI=1S/C15H18FN3/c1-17-14-10-18-15(19-7-3-2-4-8-19)13-9-11(16)5-6-12(13)14/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyMGFQBXVQSWHOHC-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.41
Rot. Bonds2

About 7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine

7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine (PubChem CID 82572373) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine
PubChem CID82572373
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine
SMILESCNc1cnc(N2CCCCC2)c2cc(F)ccc12
InChIInChI=1S/C15H18FN3/c1-17-14-10-18-15(19-7-3-2-4-8-19)13-9-11(16)5-6-12(13)14/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyMGFQBXVQSWHOHC-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine?
The IUPAC name of 7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine (CID 82572373) is 7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine.
What is the SMILES notation for 7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine?
The canonical SMILES for 7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine is CNc1cnc(N2CCCCC2)c2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine?
The InChIKey is MGFQBXVQSWHOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-17-14-10-18-15(19-7-3-2-4-8-19)13-9-11(16)5-6-12(13)14/h5-6,9-10,17H,2-4,7-8H2,1H3.
What are the key properties of 7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine?
7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-1-piperidin-1-ylisoquinolin-4-amine is sourced from PubChem (CID 82572373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).