8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

C12H15FN2 — CID 83753960

IUPAC8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESFc1ccc2c(c1)CCC1CNCCN21
InChIInChI=1S/C12H15FN2/c13-10-2-4-12-9(7-10)1-3-11-8-14-5-6-15(11)12/h2,4,7,11,14H,1,3,5-6,8H2
InChIKeyHDAKMSJFTPXSJE-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.55
Rot. Bonds

About 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (PubChem CID 83753960) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
PubChem CID83753960
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESFc1ccc2c(c1)CCC1CNCCN21
InChIInChI=1S/C12H15FN2/c13-10-2-4-12-9(7-10)1-3-11-8-14-5-6-15(11)12/h2,4,7,11,14H,1,3,5-6,8H2
InChIKeyHDAKMSJFTPXSJE-UHFFFAOYSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline with MolForge

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
1,2,3,4-Tetrahydroquinoline
CID 69460
N-(2-Cyanophenyl)piperazine
CID 2735875
TFMPP hydrochloride
CID 3084246
Despropionyl meta-fluorofentanyl
CID 23741730
2-Mepp
CID 91965
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine
CID 98698
1-(2-(Trifluoromethyl)phenyl)piperazine
CID 2777670
1-(2-Ethylphenyl)piperazine
CID 2736460
1-(o-Tolyl)piperazine Hydrochloride
CID 12227895

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The IUPAC name of 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (CID 83753960) is 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.
What is the SMILES notation for 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The canonical SMILES for 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is Fc1ccc2c(c1)CCC1CNCCN21.
What is the InChIKey of 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The InChIKey is HDAKMSJFTPXSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-10-2-4-12-9(7-10)1-3-11-8-14-5-6-15(11)12/h2,4,7,11,14H,1,3,5-6,8H2.
What are the key properties of 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline has a molecular weight of 206.26 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is sourced from PubChem (CID 83753960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).