(4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

C12H16N2 — CID 11171464

IUPAC(4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESc1ccc2c(c1)CC[C@@H]1CNCCN21
InChIInChI=1S/C12H16N2/c1-2-4-12-10(3-1)5-6-11-9-13-7-8-14(11)12/h1-4,11,13H,5-9H2/t11-/m1/s1
InChIKeyCHIINPDGHUONJZ-LLVKDONJSA-N
MW188.27 g/mol
LogP1.41
Rot. Bonds

About (4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

(4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (PubChem CID 11171464) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name(4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
PubChem CID11171464
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESc1ccc2c(c1)CC[C@@H]1CNCCN21
InChIInChI=1S/C12H16N2/c1-2-4-12-10(3-1)5-6-11-9-13-7-8-14(11)12/h1-4,11,13H,5-9H2/t11-/m1/s1
InChIKeyCHIINPDGHUONJZ-LLVKDONJSA-N
XLogP1.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The IUPAC name of (4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (CID 11171464) is (4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.
What is the SMILES notation for (4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The canonical SMILES for (4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is c1ccc2c(c1)CC[C@@H]1CNCCN21.
What is the InChIKey of (4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The InChIKey is CHIINPDGHUONJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-4-12-10(3-1)5-6-11-9-13-7-8-14(11)12/h1-4,11,13H,5-9H2/t11-/m1/s1.
What are the key properties of (4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
(4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline has a molecular weight of 188.27 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is sourced from PubChem (CID 11171464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).