1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C18H18N2 — CID 82027409

IUPAC1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1ccc(C2NCCn3c2cc2ccccc23)cc1
InChIInChI=1S/C18H18N2/c1-13-6-8-14(9-7-13)18-17-12-15-4-2-3-5-16(15)20(17)11-10-19-18/h2-9,12,18-19H,10-11H2,1H3
InChIKeyIPWZXVBPMGYKGT-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.64
Rot. Bonds1

About 1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole

1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 82027409) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID82027409
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1ccc(C2NCCn3c2cc2ccccc23)cc1
InChIInChI=1S/C18H18N2/c1-13-6-8-14(9-7-13)18-17-12-15-4-2-3-5-16(15)20(17)11-10-19-18/h2-9,12,18-19H,10-11H2,1H3
InChIKeyIPWZXVBPMGYKGT-UHFFFAOYSA-N
XLogP3.64
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 82027409) is 1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole is Cc1ccc(C2NCCn3c2cc2ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is IPWZXVBPMGYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-6-8-14(9-7-13)18-17-12-15-4-2-3-5-16(15)20(17)11-10-19-18/h2-9,12,18-19H,10-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 262.36 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 82027409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).