(7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline

C19H22N2O — CID 57134658

IUPAC(7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
SMILESCOc1ccccc1[C@@H]1CN2CCNC[C@@H]2c2ccccc21
InChIInChI=1S/C19H22N2O/c1-22-19-9-5-4-8-16(19)17-13-21-11-10-20-12-18(21)15-7-3-2-6-14(15)17/h2-9,17-18,20H,10-13H2,1H3/t17-,18-/m1/s1
InChIKeyDXQAVVNXUVWGTH-QZTJIDSGSA-N
MW294.40 g/mol
LogP2.79
Rot. Bonds2

About (7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline

(7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline (PubChem CID 57134658) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name(7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
PubChem CID57134658
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
SMILESCOc1ccccc1[C@@H]1CN2CCNC[C@@H]2c2ccccc21
InChIInChI=1S/C19H22N2O/c1-22-19-9-5-4-8-16(19)17-13-21-11-10-20-12-18(21)15-7-3-2-6-14(15)17/h2-9,17-18,20H,10-13H2,1H3/t17-,18-/m1/s1
InChIKeyDXQAVVNXUVWGTH-QZTJIDSGSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline with MolForge

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Related Compounds

(7S,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 70382095
(7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
CID 70407541
7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 13457898
[2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine
CID 70407533
(7S,11bR)-7-(4-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
CID 70407383
4-[(7S,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]-N-methylaniline;dihydrochloride
CID 70408466
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenoxypropan-1-one
CID 120732873
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
2-(2-methoxyphenyl)-1-phenyl-1,4-diazepane
CID 53237372
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 120732830
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 120733699

Frequently Asked Questions

What is the IUPAC name of (7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The IUPAC name of (7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline (CID 57134658) is (7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline.
What is the SMILES notation for (7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The canonical SMILES for (7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline is COc1ccccc1[C@@H]1CN2CCNC[C@@H]2c2ccccc21.
What is the InChIKey of (7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The InChIKey is DXQAVVNXUVWGTH-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H22N2O/c1-22-19-9-5-4-8-16(19)17-13-21-11-10-20-12-18(21)15-7-3-2-6-14(15)17/h2-9,17-18,20H,10-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of (7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
(7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline has a molecular weight of 294.40 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline is sourced from PubChem (CID 57134658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).