(7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride

C19H24Cl2N2O — CID 70407541

IUPAC(7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
SMILESCOc1cccc2c1[C@@H](c1ccccc1)CN1CCNC[C@@H]21.Cl.Cl
InChIInChI=1S/C19H22N2O.2ClH/c1-22-18-9-5-8-15-17-12-20-10-11-21(17)13-16(19(15)18)14-6-3-2-4-7-14;;/h2-9,16-17,20H,10-13H2,1H3;2*1H/t16-,17+;;/m1../s1
InChIKeyZSUFDEGQFVQRAV-LWPKXAGOSA-N
MW367.32 g/mol
LogP3.63
Rot. Bonds2

About (7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride

(7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride (PubChem CID 70407541) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is (7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride.

Molecular Properties

Compound Name(7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
PubChem CID70407541
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC Name(7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
SMILESCOc1cccc2c1[C@@H](c1ccccc1)CN1CCNC[C@@H]21.Cl.Cl
InChIInChI=1S/C19H22N2O.2ClH/c1-22-18-9-5-8-15-17-12-20-10-11-21(17)13-16(19(15)18)14-6-3-2-4-7-14;;/h2-9,16-17,20H,10-13H2,1H3;2*1H/t16-,17+;;/m1../s1
InChIKeyZSUFDEGQFVQRAV-LWPKXAGOSA-N
XLogP3.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(7S,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 70382095
(7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 57134658
[(7S,11bS)-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-8-yl]methanamine;dihydrochloride
CID 70381041
7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 13457898
(7S,11bS)-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-11-amine;dihydrochloride
CID 70380809
(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
7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
CID 21292107
1-(2-methoxyphenyl)-2-(2-phenylpiperazin-1-yl)ethanol
CID 21292084
(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 95001107
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094

Frequently Asked Questions

What is the IUPAC name of (7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride?
The IUPAC name of (7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride (CID 70407541) is (7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride.
What is the SMILES notation for (7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride?
The canonical SMILES for (7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride is COc1cccc2c1[C@@H](c1ccccc1)CN1CCNC[C@@H]21.Cl.Cl.
What is the InChIKey of (7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride?
The InChIKey is ZSUFDEGQFVQRAV-LWPKXAGOSA-N. The full InChI is InChI=1S/C19H22N2O.2ClH/c1-22-18-9-5-8-15-17-12-20-10-11-21(17)13-16(19(15)18)14-6-3-2-4-7-14;;/h2-9,16-17,20H,10-13H2,1H3;2*1H/t16-,17+;;/m1../s1.
What are the key properties of (7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride?
(7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride has a molecular weight of 367.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride is sourced from PubChem (CID 70407541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).