1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine

C15H18FN3O — CID 121415476

IUPAC1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2nccc3ccc(F)cc23)CCC1N
InChIInChI=1S/C15H18FN3O/c1-20-14-9-19(7-5-13(14)17)15-12-8-11(16)3-2-10(12)4-6-18-15/h2-4,6,8,13-14H,5,7,9,17H2,1H3
InChIKeyNGSGYKBIDPZBBW-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.93
Rot. Bonds2

About 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine

1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine (PubChem CID 121415476) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine.

Molecular Properties

Compound Name1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine
PubChem CID121415476
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine
SMILESCOC1CN(c2nccc3ccc(F)cc23)CCC1N
InChIInChI=1S/C15H18FN3O/c1-20-14-9-19(7-5-13(14)17)15-12-8-11(16)3-2-10(12)4-6-18-15/h2-4,6,8,13-14H,5,7,9,17H2,1H3
InChIKeyNGSGYKBIDPZBBW-UHFFFAOYSA-N
XLogP1.93
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine?
The IUPAC name of 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine (CID 121415476) is 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine.
What is the SMILES notation for 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine?
The canonical SMILES for 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine is COC1CN(c2nccc3ccc(F)cc23)CCC1N.
What is the InChIKey of 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine?
The InChIKey is NGSGYKBIDPZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-20-14-9-19(7-5-13(14)17)15-12-8-11(16)3-2-10(12)4-6-18-15/h2-4,6,8,13-14H,5,7,9,17H2,1H3.
What are the key properties of 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine?
1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine is sourced from PubChem (CID 121415476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).