4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine

C12H19N2O+ — CID 139661015

IUPAC4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine
SMILESCc1cc[n+](CCN2CCOCC2)cc1
InChIInChI=1S/C12H19N2O/c1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h2-5H,6-11H2,1H3/q+1
InChIKeyPWRPMRVEORJPRP-UHFFFAOYSA-N
MW207.30 g/mol
LogP0.61
Rot. Bonds3

About 4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine

4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine (PubChem CID 139661015) has the molecular formula C12H19N2O+ and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine
PubChem CID139661015
Molecular FormulaC12H19N2O+
Molecular Weight207.30 g/mol
Exact Mass207.15
IUPAC Name4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine
SMILESCc1cc[n+](CCN2CCOCC2)cc1
InChIInChI=1S/C12H19N2O/c1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h2-5H,6-11H2,1H3/q+1
InChIKeyPWRPMRVEORJPRP-UHFFFAOYSA-N
XLogP0.61
TPSA16.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-methylpyridin-1-ium-1-yl)propyl]morpholine bromide
CID 139661024
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530
4-[2-[[5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 126471082
4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
CID 53351645
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-ethylmorpholine;1-methyl-4-phenylbenzene
CID 144997146
(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
CID 67069266
4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine
CID 73053508
1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-one
CID 10265632
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine (CID 139661015) is 4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine is Cc1cc[n+](CCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine?
The InChIKey is PWRPMRVEORJPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2O/c1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h2-5H,6-11H2,1H3/q+1.
What are the key properties of 4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine?
4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine has a molecular weight of 207.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpyridin-1-ium-1-yl)ethyl]morpholine is sourced from PubChem (CID 139661015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).