10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride

C12H16BrClN2 — CID 121003869

IUPAC10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride
SMILESBrc1ccc2c(c1)C1CNCCN1CC2.Cl
InChIInChI=1S/C12H15BrN2.ClH/c13-10-2-1-9-3-5-15-6-4-14-8-12(15)11(9)7-10;/h1-2,7,12,14H,3-6,8H2;1H
InChIKeyZPYWDGZTYVIKRS-UHFFFAOYSA-N
MW303.63 g/mol
LogP2.37
Rot. Bonds

About 10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride

10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride (PubChem CID 121003869) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride.

Molecular Properties

Compound Name10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride
PubChem CID121003869
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride
SMILESBrc1ccc2c(c1)C1CNCCN1CC2.Cl
InChIInChI=1S/C12H15BrN2.ClH/c13-10-2-1-9-3-5-15-6-4-14-8-12(15)11(9)7-10;/h1-2,7,12,14H,3-6,8H2;1H
InChIKeyZPYWDGZTYVIKRS-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride?
The IUPAC name of 10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride (CID 121003869) is 10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride.
What is the SMILES notation for 10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride?
The canonical SMILES for 10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride is Brc1ccc2c(c1)C1CNCCN1CC2.Cl.
What is the InChIKey of 10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride?
The InChIKey is ZPYWDGZTYVIKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2.ClH/c13-10-2-1-9-3-5-15-6-4-14-8-12(15)11(9)7-10;/h1-2,7,12,14H,3-6,8H2;1H.
What are the key properties of 10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride?
10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride has a molecular weight of 303.63 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride is sourced from PubChem (CID 121003869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).