8-(2-fluoropiperazin-1-yl)quinoline

C13H14FN3 — CID 68926586

IUPAC8-(2-fluoropiperazin-1-yl)quinoline
SMILESFC1CNCCN1c1cccc2cccnc12
InChIInChI=1S/C13H14FN3/c14-12-9-15-7-8-17(12)11-5-1-3-10-4-2-6-16-13(10)11/h1-6,12,15H,7-9H2
InChIKeyNACUUPZEDDFXTP-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.94
Rot. Bonds1

About 8-(2-fluoropiperazin-1-yl)quinoline

8-(2-fluoropiperazin-1-yl)quinoline (PubChem CID 68926586) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 8-(2-fluoropiperazin-1-yl)quinoline.

Molecular Properties

Compound Name8-(2-fluoropiperazin-1-yl)quinoline
PubChem CID68926586
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name8-(2-fluoropiperazin-1-yl)quinoline
SMILESFC1CNCCN1c1cccc2cccnc12
InChIInChI=1S/C13H14FN3/c14-12-9-15-7-8-17(12)11-5-1-3-10-4-2-6-16-13(10)11/h1-6,12,15H,7-9H2
InChIKeyNACUUPZEDDFXTP-UHFFFAOYSA-N
XLogP1.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Varenicline
CID 5310966
Quinoline
CID 7047
1,10-Phenanthroline
CID 1318
4,7-Diphenyl-1,10-phenanthroline
CID 72812
5-Methylquinoxaline
CID 61670
5-Aminoisoquinoline
CID 70766
3-Aminoquinoline
CID 11375
5-Aminoquinoline
CID 11911
1,10-Phenanthroline hydrate
CID 21226
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
3,4,7,8-Tetramethyl-1,10-phenanthroline
CID 74265

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoropiperazin-1-yl)quinoline?
The IUPAC name of 8-(2-fluoropiperazin-1-yl)quinoline (CID 68926586) is 8-(2-fluoropiperazin-1-yl)quinoline.
What is the SMILES notation for 8-(2-fluoropiperazin-1-yl)quinoline?
The canonical SMILES for 8-(2-fluoropiperazin-1-yl)quinoline is FC1CNCCN1c1cccc2cccnc12.
What is the InChIKey of 8-(2-fluoropiperazin-1-yl)quinoline?
The InChIKey is NACUUPZEDDFXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-12-9-15-7-8-17(12)11-5-1-3-10-4-2-6-16-13(10)11/h1-6,12,15H,7-9H2.
What are the key properties of 8-(2-fluoropiperazin-1-yl)quinoline?
8-(2-fluoropiperazin-1-yl)quinoline has a molecular weight of 231.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoropiperazin-1-yl)quinoline is sourced from PubChem (CID 68926586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).