7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline

C18H20N2 — CID 13457898

IUPAC7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
SMILESc1ccc(C2CN3CCNCC3c3ccccc32)cc1
InChIInChI=1S/C18H20N2/c1-2-6-14(7-3-1)17-13-20-11-10-19-12-18(20)16-9-5-4-8-15(16)17/h1-9,17-19H,10-13H2
InChIKeyIVDVHWNKPARSHK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.78
Rot. Bonds1

About 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline

7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline (PubChem CID 13457898) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
PubChem CID13457898
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
SMILESc1ccc(C2CN3CCNCC3c3ccccc32)cc1
InChIInChI=1S/C18H20N2/c1-2-6-14(7-3-1)17-13-20-11-10-19-12-18(20)16-9-5-4-8-15(16)17/h1-9,17-19H,10-13H2
InChIKeyIVDVHWNKPARSHK-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7S,11bR)-7-(4-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
CID 70407383
7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride
CID 21292058
4-[(7S,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]-N-methylaniline;dihydrochloride
CID 70408466
(7S,11bS)-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-11-amine;dihydrochloride
CID 70380809
7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
CID 21292107
(7S,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 70382095
[(7S,11bS)-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-8-yl]methanamine;dihydrochloride
CID 70381041
(7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
CID 70407541
[2-[(7R,11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-7-yl]phenyl]methanamine
CID 70407533
(7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 57134658
(7R,11bR)-2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;dihydrochloride
CID 13457893
(6S,10bS)-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 54587671

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The IUPAC name of 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline (CID 13457898) is 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline.
What is the SMILES notation for 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The canonical SMILES for 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline is c1ccc(C2CN3CCNCC3c3ccccc32)cc1.
What is the InChIKey of 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The InChIKey is IVDVHWNKPARSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-6-14(7-3-1)17-13-20-11-10-19-12-18(20)16-9-5-4-8-15(16)17/h1-9,17-19H,10-13H2.
What are the key properties of 7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline has a molecular weight of 264.37 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 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]isoquinoline is sourced from PubChem (CID 13457898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).