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

C19H22N2 — CID 10468793

IUPAC2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
InChIInChI=1S/C19H22N2/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
InChIKeyJWDCLQHNIUCQJT-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.12
Rot. Bonds1

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

2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (PubChem CID 10468793) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
PubChem CID10468793
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
InChIInChI=1S/C19H22N2/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
InChIKeyJWDCLQHNIUCQJT-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The IUPAC name of 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (CID 10468793) is 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.
What is the SMILES notation for 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The canonical SMILES for 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is CN1CCN2CC(c3ccccc3)c3ccccc3C2C1.
What is the InChIKey of 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The InChIKey is JWDCLQHNIUCQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/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.
What are the key properties of 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline has a molecular weight of 278.40 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is sourced from PubChem (CID 10468793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).