4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium

C19H38N2O2+2 — CID 7078937

IUPAC4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium
SMILESC[C@H](C[N+]1(C)CCOCC1)OC[C@@H]1CCC[N+]2(C)CCCC[C@@H]12
InChIInChI=1S/C19H38N2O2/c1-17(15-20(2)11-13-22-14-12-20)23-16-18-7-6-10-21(3)9-5-4-8-19(18)21/h17-19H,4-16H2,1-3H3/q+2/t17-,18+,19+,21?/m1/s1
InChIKeyVNZYHBOMJJKSJY-QWRZHYGGSA-N
MW326.53 g/mol
LogP2.28
Rot. Bonds5

About 4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium

4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium (PubChem CID 7078937) has the molecular formula C19H38N2O2+2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium
PubChem CID7078937
Molecular FormulaC19H38N2O2+2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium
SMILESC[C@H](C[N+]1(C)CCOCC1)OC[C@@H]1CCC[N+]2(C)CCCC[C@@H]12
InChIInChI=1S/C19H38N2O2/c1-17(15-20(2)11-13-22-14-12-20)23-16-18-7-6-10-21(3)9-5-4-8-19(18)21/h17-19H,4-16H2,1-3H3/q+2/t17-,18+,19+,21?/m1/s1
InChIKeyVNZYHBOMJJKSJY-QWRZHYGGSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium with MolForge

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Related Compounds

4-[(2S)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium
CID 7078936
4-[(2R)-2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium
CID 124784719
4-[2-[[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]ethyl]-4-methylmorpholin-4-ium
CID 129425858
[(1R,5R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl (2S)-2-hydroxypropanoate
CID 129449164
(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methanol iodide
CID 45042165
2-[(1S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]ethanol
CID 6955094
bis[(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl] decanedioate
CID 10485428
[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylprop-2-enoate
CID 124871600
[(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylprop-2-enoate
CID 3051930
[(1S,5R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl piperidine-4-carboxylate
CID 129449109
3-[(1R,5R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]propan-1-ol
CID 124766656
[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2,2-diphenylacetate
CID 7078464

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium?
The IUPAC name of 4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium (CID 7078937) is 4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium?
The canonical SMILES for 4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium is C[C@H](C[N+]1(C)CCOCC1)OC[C@@H]1CCC[N+]2(C)CCCC[C@@H]12.
What is the InChIKey of 4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium?
The InChIKey is VNZYHBOMJJKSJY-QWRZHYGGSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-17(15-20(2)11-13-22-14-12-20)23-16-18-7-6-10-21(3)9-5-4-8-19(18)21/h17-19H,4-16H2,1-3H3/q+2/t17-,18+,19+,21?/m1/s1.
What are the key properties of 4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium?
4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium has a molecular weight of 326.53 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[[(1R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methoxy]propyl]-4-methylmorpholin-4-ium is sourced from PubChem (CID 7078937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).