8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine

C16H20FN3 — CID 83166349

IUPAC8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine
SMILESCC1CCC(C)N(c2c(F)cc(N)c3cccnc23)C1
InChIInChI=1S/C16H20FN3/c1-10-5-6-11(2)20(9-10)16-13(17)8-14(18)12-4-3-7-19-15(12)16/h3-4,7-8,10-11H,5-6,9,18H2,1-2H3
InChIKeyGXKVDSLOQLEFIT-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.58
Rot. Bonds1

About 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine

8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine (PubChem CID 83166349) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine
PubChem CID83166349
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine
SMILESCC1CCC(C)N(c2c(F)cc(N)c3cccnc23)C1
InChIInChI=1S/C16H20FN3/c1-10-5-6-11(2)20(9-10)16-13(17)8-14(18)12-4-3-7-19-15(12)16/h3-4,7-8,10-11H,5-6,9,18H2,1-2H3
InChIKeyGXKVDSLOQLEFIT-UHFFFAOYSA-N
XLogP3.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine?
The IUPAC name of 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine (CID 83166349) is 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine.
What is the SMILES notation for 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine?
The canonical SMILES for 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine is CC1CCC(C)N(c2c(F)cc(N)c3cccnc23)C1.
What is the InChIKey of 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine?
The InChIKey is GXKVDSLOQLEFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-10-5-6-11(2)20(9-10)16-13(17)8-14(18)12-4-3-7-19-15(12)16/h3-4,7-8,10-11H,5-6,9,18H2,1-2H3.
What are the key properties of 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine?
8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine has a molecular weight of 273.35 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpiperidin-1-yl)-7-fluoroquinolin-5-amine is sourced from PubChem (CID 83166349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).