4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium

C10H20N2O+2 — CID 6987216

IUPAC4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium
SMILESC[NH+]1CC=C([NH+]2CCOCC2)CC1
InChIInChI=1S/C10H18N2O/c1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h2H,3-9H2,1H3/p+2
InChIKeyDCFOWKDNANGCTA-UHFFFAOYSA-P
MW184.28 g/mol
LogP-2.30
Rot. Bonds1

About 4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium

4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium (PubChem CID 6987216) has the molecular formula C10H20N2O+2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium.

Molecular Properties

Compound Name4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium
PubChem CID6987216
Molecular FormulaC10H20N2O+2
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium
SMILESC[NH+]1CC=C([NH+]2CCOCC2)CC1
InChIInChI=1S/C10H18N2O/c1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h2H,3-9H2,1H3/p+2
InChIKeyDCFOWKDNANGCTA-UHFFFAOYSA-P
XLogP-2.30
TPSA18.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 5-2.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Pyridinium, 1,2,5,6-tetrahydro-1,1-dimethyl-4-morpholino-, iodide
CID 377674
4-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)morpholine
CID 294112
1-[4-(3,5-difluorocyclohexa-1,5-dien-1-yl)-6-methylmorpholin-2-yl]-N-methylmethanamine
CID 91157344
4-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)morpholine
CID 377675
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]morpholine
CID 130949222
4-(2,2,6,6-Tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)morpholine
CID 12418552
(E)-6-(2,6-dimethylmorpholin-4-yl)hex-2-en-3-amine
CID 70892511
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2,3,6-tetrahydropyridin-5-amine
CID 70892530
4-(2,6-Dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892610
3-(2,6-dimethylmorpholin-4-yl)-N-methylcyclohex-2-en-1-amine
CID 70974379
4-[(2R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine
CID 70974382
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine
CID 70974386

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium?
The IUPAC name of 4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium (CID 6987216) is 4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium.
What is the SMILES notation for 4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium?
The canonical SMILES for 4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium is C[NH+]1CC=C([NH+]2CCOCC2)CC1.
What is the InChIKey of 4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium?
The InChIKey is DCFOWKDNANGCTA-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H18N2O/c1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h2H,3-9H2,1H3/p+2.
What are the key properties of 4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium?
4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium has a molecular weight of 184.28 g/mol, XLogP of -2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)morpholin-4-ium is sourced from PubChem (CID 6987216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).