2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine

C20H24N2 — CID 15175841

IUPAC2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine
SMILESCN1CCN2CC(c3ccccc3)c3ccccc3CC2C1
InChIInChI=1S/C20H24N2/c1-21-11-12-22-15-20(16-7-3-2-4-8-16)19-10-6-5-9-17(19)13-18(22)14-21/h2-10,18,20H,11-15H2,1H3
InChIKeyRKWJSEBQWGBOEO-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.99
Rot. Bonds1

About 2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine

2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine (PubChem CID 15175841) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine.

Molecular Properties

Compound Name2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine
PubChem CID15175841
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine
SMILESCN1CCN2CC(c3ccccc3)c3ccccc3CC2C1
InChIInChI=1S/C20H24N2/c1-21-11-12-22-15-20(16-7-3-2-4-8-16)19-10-6-5-9-17(19)13-18(22)14-21/h2-10,18,20H,11-15H2,1H3
InChIKeyRKWJSEBQWGBOEO-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.99
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-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine?
The IUPAC name of 2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine (CID 15175841) is 2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine.
What is the SMILES notation for 2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine?
The canonical SMILES for 2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine is CN1CCN2CC(c3ccccc3)c3ccccc3CC2C1.
What is the InChIKey of 2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine?
The InChIKey is RKWJSEBQWGBOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-21-11-12-22-15-20(16-7-3-2-4-8-16)19-10-6-5-9-17(19)13-18(22)14-21/h2-10,18,20H,11-15H2,1H3.
What are the key properties of 2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine?
2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine has a molecular weight of 292.43 g/mol, XLogP of 2.99, 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-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine is sourced from PubChem (CID 15175841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).