2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol

C19H22N2O — CID 21292086

IUPAC2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol
SMILESCN1CCN2CC(c3ccccc3)c3ccc(O)cc3C2C1
InChIInChI=1S/C19H22N2O/c1-20-9-10-21-12-18(14-5-3-2-4-6-14)16-8-7-15(22)11-17(16)19(21)13-20/h2-8,11,18-19,22H,9-10,12-13H2,1H3
InChIKeyLNWJMAGBMRWZJB-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.83
Rot. Bonds1

About 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol

2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol (PubChem CID 21292086) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol.

Molecular Properties

Compound Name2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol
PubChem CID21292086
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol
SMILESCN1CCN2CC(c3ccccc3)c3ccc(O)cc3C2C1
InChIInChI=1S/C19H22N2O/c1-20-9-10-21-12-18(14-5-3-2-4-6-14)16-8-7-15(22)11-17(16)19(21)13-20/h2-8,11,18-19,22H,9-10,12-13H2,1H3
InChIKeyLNWJMAGBMRWZJB-UHFFFAOYSA-N
XLogP2.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol?
The IUPAC name of 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol (CID 21292086) is 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol.
What is the SMILES notation for 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol?
The canonical SMILES for 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol is CN1CCN2CC(c3ccccc3)c3ccc(O)cc3C2C1.
What is the InChIKey of 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol?
The InChIKey is LNWJMAGBMRWZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20-9-10-21-12-18(14-5-3-2-4-6-14)16-8-7-15(22)11-17(16)19(21)13-20/h2-8,11,18-19,22H,9-10,12-13H2,1H3.
What are the key properties of 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol?
2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol has a molecular weight of 294.40 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-10-ol is sourced from PubChem (CID 21292086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).