3-(ethoxymethyl)piperidin-1-ium

C8H18NO+ — CID 74802368

IUPAC3-(ethoxymethyl)piperidin-1-ium
SMILESCCOCC1CCC[NH2+]C1
InChIInChI=1S/C8H17NO/c1-2-10-7-8-4-3-5-9-6-8/h8-9H,2-7H2,1H3/p+1
InChIKeyHOSUXBKDVIAMEG-UHFFFAOYSA-O
MW144.24 g/mol
LogP-0.00
Rot. Bonds3

About 3-(ethoxymethyl)piperidin-1-ium

3-(ethoxymethyl)piperidin-1-ium (PubChem CID 74802368) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 3-(ethoxymethyl)piperidin-1-ium.

Molecular Properties

Compound Name3-(ethoxymethyl)piperidin-1-ium
PubChem CID74802368
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name3-(ethoxymethyl)piperidin-1-ium
SMILESCCOCC1CCC[NH2+]C1
InChIInChI=1S/C8H17NO/c1-2-10-7-8-4-3-5-9-6-8/h8-9H,2-7H2,1H3/p+1
InChIKeyHOSUXBKDVIAMEG-UHFFFAOYSA-O
XLogP-0.00
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl(oxan-3-ylmethyl)amine
CID 12700139
3-(Methoxymethyl)piperidine hydrochloride
CID 17178052
3-(Methoxymethyl)piperidine
CID 17178053
4-(3-Methoxypropyl)piperidine
CID 28063684
2-(3-(Methoxymethyl)piperidin-1-yl)ethan-1-amine
CID 66564433
4-(2-Methoxyethyl)piperidine
CID 15172754
4-(2-Methoxy-1,1-dimethylethyl)piperidine
CID 13478151
4-(Ethoxymethyl)piperidine
CID 17233802
Methyl(2-(oxan-4-yl)ethyl)amine
CID 20719713
N-Methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine hydrochloride
CID 50944152
4-(2-(2-(2-Methoxyethoxy)ethoxy)ethyl)piperidine
CID 56829888
3-((Tert-butoxy)methyl)piperidine hydrochloride
CID 118163283

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)piperidin-1-ium?
The IUPAC name of 3-(ethoxymethyl)piperidin-1-ium (CID 74802368) is 3-(ethoxymethyl)piperidin-1-ium.
What is the SMILES notation for 3-(ethoxymethyl)piperidin-1-ium?
The canonical SMILES for 3-(ethoxymethyl)piperidin-1-ium is CCOCC1CCC[NH2+]C1.
What is the InChIKey of 3-(ethoxymethyl)piperidin-1-ium?
The InChIKey is HOSUXBKDVIAMEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO/c1-2-10-7-8-4-3-5-9-6-8/h8-9H,2-7H2,1H3/p+1.
What are the key properties of 3-(ethoxymethyl)piperidin-1-ium?
3-(ethoxymethyl)piperidin-1-ium has a molecular weight of 144.24 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)piperidin-1-ium is sourced from PubChem (CID 74802368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).