7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride

C18H22Cl2N2O — CID 21292058

IUPAC7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc2c(c1)C1CNCCN1CC2c1ccccc1
InChIInChI=1S/C18H20N2O.2ClH/c21-14-6-7-15-16(10-14)18-11-19-8-9-20(18)12-17(15)13-4-2-1-3-5-13;;/h1-7,10,17-19,21H,8-9,11-12H2;2*1H
InChIKeyXKLZDSASFCWWTE-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.33
Rot. Bonds1

About 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride

7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride (PubChem CID 21292058) has the molecular formula C18H22Cl2N2O and a molecular weight of 353.29 g/mol. Its IUPAC name is 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride.

Molecular Properties

Compound Name7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride
PubChem CID21292058
Molecular FormulaC18H22Cl2N2O
Molecular Weight353.29 g/mol
Exact Mass352.11
IUPAC Name7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc2c(c1)C1CNCCN1CC2c1ccccc1
InChIInChI=1S/C18H20N2O.2ClH/c21-14-6-7-15-16(10-14)18-11-19-8-9-20(18)12-17(15)13-4-2-1-3-5-13;;/h1-7,10,17-19,21H,8-9,11-12H2;2*1H
InChIKeyXKLZDSASFCWWTE-UHFFFAOYSA-N
XLogP3.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride?
The IUPAC name of 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride (CID 21292058) is 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride.
What is the SMILES notation for 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride?
The canonical SMILES for 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride is Cl.Cl.Oc1ccc2c(c1)C1CNCCN1CC2c1ccccc1.
What is the InChIKey of 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride?
The InChIKey is XKLZDSASFCWWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.2ClH/c21-14-6-7-15-16(10-14)18-11-19-8-9-20(18)12-17(15)13-4-2-1-3-5-13;;/h1-7,10,17-19,21H,8-9,11-12H2;2*1H.
What are the key properties of 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride?
7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride has a molecular weight of 353.29 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride is sourced from PubChem (CID 21292058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).