(7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride

C19H24Cl2N2 — CID 13457893

IUPAC(7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride
SMILESCN1CCN2C[C@H](c3ccccc3)c3ccccc3[C@@H]2C1.Cl.Cl
InChIInChI=1S/C19H22N2.2ClH/c1-20-11-12-21-13-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19(21)14-20;;/h2-10,18-19H,11-14H2,1H3;2*1H/t18-,19+;;/m1../s1
InChIKeyMXKNYRDCLVGGJD-QNCHGCKQSA-N
MW351.32 g/mol
LogP3.96
Rot. Bonds1

About (7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride

(7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride (PubChem CID 13457893) has the molecular formula C19H24Cl2N2 and a molecular weight of 351.32 g/mol. Its IUPAC name is (7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride.

Molecular Properties

Compound Name(7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride
PubChem CID13457893
Molecular FormulaC19H24Cl2N2
Molecular Weight351.32 g/mol
Exact Mass350.13
IUPAC Name(7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride
SMILESCN1CCN2C[C@H](c3ccccc3)c3ccccc3[C@@H]2C1.Cl.Cl
InChIInChI=1S/C19H22N2.2ClH/c1-20-11-12-21-13-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19(21)14-20;;/h2-10,18-19H,11-14H2,1H3;2*1H/t18-,19+;;/m1../s1
InChIKeyMXKNYRDCLVGGJD-QNCHGCKQSA-N
XLogP3.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride?
The IUPAC name of (7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride (CID 13457893) is (7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride.
What is the SMILES notation for (7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride?
The canonical SMILES for (7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride is CN1CCN2C[C@H](c3ccccc3)c3ccccc3[C@@H]2C1.Cl.Cl.
What is the InChIKey of (7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride?
The InChIKey is MXKNYRDCLVGGJD-QNCHGCKQSA-N. The full InChI is InChI=1S/C19H22N2.2ClH/c1-20-11-12-21-13-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19(21)14-20;;/h2-10,18-19H,11-14H2,1H3;2*1H/t18-,19+;;/m1../s1.
What are the key properties of (7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride?
(7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride is sourced from PubChem (CID 13457893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).