(11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline

C12H15BrN2 — CID 86318578

IUPAC(11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
SMILESBrc1ccc2c(c1)CCN1CCNC[C@@H]21
InChIInChI=1S/C12H15BrN2/c13-10-1-2-11-9(7-10)3-5-15-6-4-14-8-12(11)15/h1-2,7,12,14H,3-6,8H2/t12-/m0/s1
InChIKeyBMOMZUGOCXOFKQ-LBPRGKRZSA-N
MW267.17 g/mol
LogP1.95
Rot. Bonds

About (11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline

(11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline (PubChem CID 86318578) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is (11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name(11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
PubChem CID86318578
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name(11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
SMILESBrc1ccc2c(c1)CCN1CCNC[C@@H]21
InChIInChI=1S/C12H15BrN2/c13-10-1-2-11-9(7-10)3-5-15-6-4-14-8-12(11)15/h1-2,7,12,14H,3-6,8H2/t12-/m0/s1
InChIKeyBMOMZUGOCXOFKQ-LBPRGKRZSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline with MolForge

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Related Compounds

7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
5-Bromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
CID 5067706
4-Bromo-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
CID 9904403
1-[(4-Bromophenyl)(phenyl)methyl]piperazine
CID 3704699
7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 44405495
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
1-(3-Bromobenzyl)piperazine
CID 876852
Azaquinzole
CID 179345
3-Trifluoromethyl-7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10401405
7-Bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10514405
(R)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10610273

Frequently Asked Questions

What is the IUPAC name of (11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The IUPAC name of (11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline (CID 86318578) is (11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline.
What is the SMILES notation for (11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The canonical SMILES for (11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline is Brc1ccc2c(c1)CCN1CCNC[C@@H]21.
What is the InChIKey of (11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The InChIKey is BMOMZUGOCXOFKQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-10-1-2-11-9(7-10)3-5-15-6-4-14-8-12(11)15/h1-2,7,12,14H,3-6,8H2/t12-/m0/s1.
What are the key properties of (11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
(11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline has a molecular weight of 267.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11bR)-9-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline is sourced from PubChem (CID 86318578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).