4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline

C12H18N2 — CID 91193707

IUPAC4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline
SMILESC1=CC2CN3CC=NCC3CC2CC1
InChIInChI=1S/C12H18N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h2,4-5,10-12H,1,3,6-9H2
InChIKeyWLMOVXZKMZFQQG-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.73
Rot. Bonds

About 4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline

4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline (PubChem CID 91193707) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline.

Molecular Properties

Compound Name4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline
PubChem CID91193707
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline
SMILESC1=CC2CN3CC=NCC3CC2CC1
InChIInChI=1S/C12H18N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h2,4-5,10-12H,1,3,6-9H2
InChIKeyWLMOVXZKMZFQQG-UHFFFAOYSA-N
XLogP1.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3,6,7,7a,8,9,11a,11b-Octahydropyrazino[2,1-a]isoquinoline-4-thione
CID 21311485
6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline
CID 57322912
1,6,7,7a,8,9,11a,11b-Octahydropyrazino[2,1-a]isoquinolin-4-one
CID 89570789
N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine
CID 123984515

Frequently Asked Questions

What is the IUPAC name of 4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline?
The IUPAC name of 4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline (CID 91193707) is 4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline.
What is the SMILES notation for 4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline?
The canonical SMILES for 4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline is C1=CC2CN3CC=NCC3CC2CC1.
What is the InChIKey of 4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline?
The InChIKey is WLMOVXZKMZFQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h2,4-5,10-12H,1,3,6-9H2.
What are the key properties of 4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline?
4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline has a molecular weight of 190.29 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline is sourced from PubChem (CID 91193707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).