11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride

C13H18ClFN2 — CID 133054473

IUPAC11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride
SMILESCN1CCN2CCc3cccc(F)c3C2C1.Cl
InChIInChI=1S/C13H17FN2.ClH/c1-15-7-8-16-6-5-10-3-2-4-11(14)13(10)12(16)9-15;/h2-4,12H,5-9H2,1H3;1H
InChIKeyAPZNLTDOQLWVHL-UHFFFAOYSA-N
MW256.75 g/mol
LogP2.09
Rot. Bonds

About 11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride

11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride (PubChem CID 133054473) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride.

Molecular Properties

Compound Name11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride
PubChem CID133054473
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride
SMILESCN1CCN2CCc3cccc(F)c3C2C1.Cl
InChIInChI=1S/C13H17FN2.ClH/c1-15-7-8-16-6-5-10-3-2-4-11(14)13(10)12(16)9-15;/h2-4,12H,5-9H2,1H3;1H
InChIKeyAPZNLTDOQLWVHL-UHFFFAOYSA-N
XLogP2.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride?
The IUPAC name of 11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride (CID 133054473) is 11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride.
What is the SMILES notation for 11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride?
The canonical SMILES for 11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride is CN1CCN2CCc3cccc(F)c3C2C1.Cl.
What is the InChIKey of 11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride?
The InChIKey is APZNLTDOQLWVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2.ClH/c1-15-7-8-16-6-5-10-3-2-4-11(14)13(10)12(16)9-15;/h2-4,12H,5-9H2,1H3;1H.
What are the key properties of 11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride?
11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride has a molecular weight of 256.75 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride is sourced from PubChem (CID 133054473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).