(4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride

C12H14BrClN2 — CID 68892753

IUPAC(4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
SMILESC[C@@H]1CNCc2cc3cccc(Br)c3n21.Cl
InChIInChI=1S/C12H13BrN2.ClH/c1-8-6-14-7-10-5-9-3-2-4-11(13)12(9)15(8)10;/h2-5,8,14H,6-7H2,1H3;1H/t8-;/m1./s1
InChIKeyQSUGFAQHOZVERY-DDWIOCJRSA-N
MW301.62 g/mol
LogP3.49
Rot. Bonds

About (4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride

(4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride (PubChem CID 68892753) has the molecular formula C12H14BrClN2 and a molecular weight of 301.62 g/mol. Its IUPAC name is (4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride.

Molecular Properties

Compound Name(4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
PubChem CID68892753
Molecular FormulaC12H14BrClN2
Molecular Weight301.62 g/mol
Exact Mass300.00
IUPAC Name(4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
SMILESC[C@@H]1CNCc2cc3cccc(Br)c3n21.Cl
InChIInChI=1S/C12H13BrN2.ClH/c1-8-6-14-7-10-5-9-3-2-4-11(13)12(9)15(8)10;/h2-5,8,14H,6-7H2,1H3;1H/t8-;/m1./s1
InChIKeyQSUGFAQHOZVERY-DDWIOCJRSA-N
XLogP3.49
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride with MolForge

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Related Compounds

Rimcazole
CID 53389
Rimcazole dihydrochloride
CID 53388
6-bromo-1H,2H,3H,4H,9H-pyrido(3,4-b)indole
CID 14680201
Tetrahydroharmane
CID 91522
7-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline
CID 10037784
8-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline
CID 10467319
(R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine
CID 10753358
9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 10997754
1,2,3,4-Tetrahydropyrazino(1,2-a)indole
CID 14595509
6-Bromo-4,9-dihydro-3H-beta-carboline
CID 42281505
N-(1-Methyl-1H-indol-2-ylmethyl)-N-phenylamine
CID 42776886
N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2840380

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The IUPAC name of (4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride (CID 68892753) is (4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride.
What is the SMILES notation for (4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The canonical SMILES for (4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride is C[C@@H]1CNCc2cc3cccc(Br)c3n21.Cl.
What is the InChIKey of (4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The InChIKey is QSUGFAQHOZVERY-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H13BrN2.ClH/c1-8-6-14-7-10-5-9-3-2-4-11(13)12(9)15(8)10;/h2-5,8,14H,6-7H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
(4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride has a molecular weight of 301.62 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride is sourced from PubChem (CID 68892753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).