10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole

C23H30N2O — CID 23456584

IUPAC10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole
SMILESCCCCOc1ccc2c(c1)CN1CCN(C)CC21Cc1ccccc1
InChIInChI=1S/C23H30N2O/c1-3-4-14-26-21-10-11-22-20(15-21)17-25-13-12-24(2)18-23(22,25)16-19-8-6-5-7-9-19/h5-11,15H,3-4,12-14,16-18H2,1-2H3
InChIKeyDSAKJQIHTCNHAE-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.06
Rot. Bonds6

About 10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole

10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole (PubChem CID 23456584) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole.

Molecular Properties

Compound Name10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole
PubChem CID23456584
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole
SMILESCCCCOc1ccc2c(c1)CN1CCN(C)CC21Cc1ccccc1
InChIInChI=1S/C23H30N2O/c1-3-4-14-26-21-10-11-22-20(15-21)17-25-13-12-24(2)18-23(22,25)16-19-8-6-5-7-9-19/h5-11,15H,3-4,12-14,16-18H2,1-2H3
InChIKeyDSAKJQIHTCNHAE-UHFFFAOYSA-N
XLogP4.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole?
The IUPAC name of 10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole (CID 23456584) is 10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole.
What is the SMILES notation for 10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole?
The canonical SMILES for 10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole is CCCCOc1ccc2c(c1)CN1CCN(C)CC21Cc1ccccc1.
What is the InChIKey of 10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole?
The InChIKey is DSAKJQIHTCNHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-4-14-26-21-10-11-22-20(15-21)17-25-13-12-24(2)18-23(22,25)16-19-8-6-5-7-9-19/h5-11,15H,3-4,12-14,16-18H2,1-2H3.
What are the key properties of 10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole?
10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole has a molecular weight of 350.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-benzyl-8-butoxy-2-methyl-1,3,4,6-tetrahydropyrazino[2,1-a]isoindole is sourced from PubChem (CID 23456584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).