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

C19H22N2 — CID 70416585

IUPAC(6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCN1CCN2[C@@H](c3ccccc3)Cc3ccccc3[C@@H]2C1
InChIInChI=1S/C19H22N2/c1-20-11-12-21-18(15-7-3-2-4-8-15)13-16-9-5-6-10-17(16)19(21)14-20/h2-10,18-19H,11-14H2,1H3/t18-,19+/m1/s1
InChIKeyRAAHPWSOFIXXFP-MOPGFXCFSA-N
MW278.40 g/mol
LogP3.27
Rot. Bonds1

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

(6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (PubChem CID 70416585) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name(6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
PubChem CID70416585
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCN1CCN2[C@@H](c3ccccc3)Cc3ccccc3[C@@H]2C1
InChIInChI=1S/C19H22N2/c1-20-11-12-21-18(15-7-3-2-4-8-15)13-16-9-5-6-10-17(16)19(21)14-20/h2-10,18-19H,11-14H2,1H3/t18-,19+/m1/s1
InChIKeyRAAHPWSOFIXXFP-MOPGFXCFSA-N
XLogP3.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

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3-methyl-7-phenyl-2,4,5,7,12,12a-hexahydro-1H-[1,4]diazepino[1,7-b]isoquinoline
CID 70625700
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CID 70488986
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CID 13457893
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CID 114086669
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CID 43393739
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 155511171

Frequently Asked Questions

What is the IUPAC name of (6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The IUPAC name of (6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (CID 70416585) is (6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.
What is the SMILES notation for (6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The canonical SMILES for (6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is CN1CCN2[C@@H](c3ccccc3)Cc3ccccc3[C@@H]2C1.
What is the InChIKey of (6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The InChIKey is RAAHPWSOFIXXFP-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H22N2/c1-20-11-12-21-18(15-7-3-2-4-8-15)13-16-9-5-6-10-17(16)19(21)14-20/h2-10,18-19H,11-14H2,1H3/t18-,19+/m1/s1.
What are the key properties of (6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
(6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline has a molecular weight of 278.40 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11bR)-2-methyl-6-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is sourced from PubChem (CID 70416585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).