2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

C20H24N2 — CID 13457895

IUPAC2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
InChIInChI=1S/C20H24N2/c1-2-21-12-13-22-14-19(16-8-4-3-5-9-16)17-10-6-7-11-18(17)20(22)15-21/h3-11,19-20H,2,12-15H2,1H3
InChIKeyALJBIHSYMDQUHR-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.51
Rot. Bonds2

About 2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (PubChem CID 13457895) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
PubChem CID13457895
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
InChIInChI=1S/C20H24N2/c1-2-21-12-13-22-14-19(16-8-4-3-5-9-16)17-10-6-7-11-18(17)20(22)15-21/h3-11,19-20H,2,12-15H2,1H3
InChIKeyALJBIHSYMDQUHR-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The IUPAC name of 2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (CID 13457895) is 2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.
What is the SMILES notation for 2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The canonical SMILES for 2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is CCN1CCN2CC(c3ccccc3)c3ccccc3C2C1.
What is the InChIKey of 2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The InChIKey is ALJBIHSYMDQUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-2-21-12-13-22-14-19(16-8-4-3-5-9-16)17-10-6-7-11-18(17)20(22)15-21/h3-11,19-20H,2,12-15H2,1H3.
What are the key properties of 2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline has a molecular weight of 292.43 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is sourced from PubChem (CID 13457895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).