1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine

C14H17FN4 — CID 82570042

IUPAC1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine
SMILESNc1ccc(F)c2ccnc(N3CCC(N)CC3)c12
InChIInChI=1S/C14H17FN4/c15-11-1-2-12(17)13-10(11)3-6-18-14(13)19-7-4-9(16)5-8-19/h1-3,6,9H,4-5,7-8,16-17H2
InChIKeyVAWGKULKPYFIPF-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.88
Rot. Bonds1

About 1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine

1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine (PubChem CID 82570042) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine
PubChem CID82570042
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine
SMILESNc1ccc(F)c2ccnc(N3CCC(N)CC3)c12
InChIInChI=1S/C14H17FN4/c15-11-1-2-12(17)13-10(11)3-6-18-14(13)19-7-4-9(16)5-8-19/h1-3,6,9H,4-5,7-8,16-17H2
InChIKeyVAWGKULKPYFIPF-UHFFFAOYSA-N
XLogP1.88
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine (CID 82570042) is 1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine is Nc1ccc(F)c2ccnc(N3CCC(N)CC3)c12.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine?
The InChIKey is VAWGKULKPYFIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c15-11-1-2-12(17)13-10(11)3-6-18-14(13)19-7-4-9(16)5-8-19/h1-3,6,9H,4-5,7-8,16-17H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine?
1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine has a molecular weight of 260.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-5-fluoroisoquinolin-8-amine is sourced from PubChem (CID 82570042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).