1-(1-ethoxyethyl)-1-methylpiperidin-1-ium

C10H22NO+ — CID 66652739

IUPAC1-(1-ethoxyethyl)-1-methylpiperidin-1-ium
SMILESCCOC(C)[N+]1(C)CCCCC1
InChIInChI=1S/C10H22NO/c1-4-12-10(2)11(3)8-6-5-7-9-11/h10H,4-9H2,1-3H3/q+1
InChIKeyLRVNRQANKXPEGZ-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.00
Rot. Bonds3

About 1-(1-ethoxyethyl)-1-methylpiperidin-1-ium

1-(1-ethoxyethyl)-1-methylpiperidin-1-ium (PubChem CID 66652739) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-1-methylpiperidin-1-ium.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-1-methylpiperidin-1-ium
PubChem CID66652739
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Name1-(1-ethoxyethyl)-1-methylpiperidin-1-ium
SMILESCCOC(C)[N+]1(C)CCCCC1
InChIInChI=1S/C10H22NO/c1-4-12-10(2)11(3)8-6-5-7-9-11/h10H,4-9H2,1-3H3/q+1
InChIKeyLRVNRQANKXPEGZ-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]piperidin-1-ium
CID 138687382
cyclopropane;1,1-diethoxyethane
CID 67020569
cyclopropane;diethoxymethanamine
CID 67531002
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 122553766
1,1-diethoxyethane
CID 7765
1-(ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium
CID 23116081
1,1-diethoxypropan-2-ylcyclohexane
CID 14745336
N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
2-bromopropanal;cyclopropane;1,1-diethoxyethane
CID 87882353
2-ethoxypropylcyclohexane
CID 57126788
1-ethoxy-1-methylsulfanylethane
CID 18710050

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-1-methylpiperidin-1-ium?
The IUPAC name of 1-(1-ethoxyethyl)-1-methylpiperidin-1-ium (CID 66652739) is 1-(1-ethoxyethyl)-1-methylpiperidin-1-ium.
What is the SMILES notation for 1-(1-ethoxyethyl)-1-methylpiperidin-1-ium?
The canonical SMILES for 1-(1-ethoxyethyl)-1-methylpiperidin-1-ium is CCOC(C)[N+]1(C)CCCCC1.
What is the InChIKey of 1-(1-ethoxyethyl)-1-methylpiperidin-1-ium?
The InChIKey is LRVNRQANKXPEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-4-12-10(2)11(3)8-6-5-7-9-11/h10H,4-9H2,1-3H3/q+1.
What are the key properties of 1-(1-ethoxyethyl)-1-methylpiperidin-1-ium?
1-(1-ethoxyethyl)-1-methylpiperidin-1-ium has a molecular weight of 172.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-1-methylpiperidin-1-ium is sourced from PubChem (CID 66652739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).