4-ethoxypiperidin-1-ium

C7H16NO+ — CID 42426701

IUPAC4-ethoxypiperidin-1-ium
SMILESCCOC1CC[NH2+]CC1
InChIInChI=1S/C7H15NO/c1-2-9-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3/p+1
InChIKeyOYHQAXYDSYSGEI-UHFFFAOYSA-O
MW130.21 g/mol
LogP-0.25
Rot. Bonds2

About 4-ethoxypiperidin-1-ium

4-ethoxypiperidin-1-ium (PubChem CID 42426701) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-ethoxypiperidin-1-ium.

Molecular Properties

Compound Name4-ethoxypiperidin-1-ium
PubChem CID42426701
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name4-ethoxypiperidin-1-ium
SMILESCCOC1CC[NH2+]CC1
InChIInChI=1S/C7H15NO/c1-2-9-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3/p+1
InChIKeyOYHQAXYDSYSGEI-UHFFFAOYSA-O
XLogP-0.25
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethoxycyclooctane
CID 13427982
azane;ethoxycyclooctane
CID 70271275
ethane;1-ethoxy-4-methylcyclohexane
CID 145107105
1-ethenoxy-4-ethoxycyclohexane
CID 87407943
1-ethoxy-4-hexoxycyclohexane
CID 147022477
1-ethoxy-4-(2-fluoroethyl)cyclohexane
CID 18344106
3-ethoxyazetidine
CID 22507733
N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine
CID 134415201
4-ethoxy-N-methyl-N-propylcyclohexan-1-amine
CID 166800579
3-(4-ethoxycyclohexyl)oxy-1-ethylazetidine
CID 171638982
3-ethoxythiolane
CID 58836454
3-ethoxypyrrolidine
CID 21333172

Frequently Asked Questions

What is the IUPAC name of 4-ethoxypiperidin-1-ium?
The IUPAC name of 4-ethoxypiperidin-1-ium (CID 42426701) is 4-ethoxypiperidin-1-ium.
What is the SMILES notation for 4-ethoxypiperidin-1-ium?
The canonical SMILES for 4-ethoxypiperidin-1-ium is CCOC1CC[NH2+]CC1.
What is the InChIKey of 4-ethoxypiperidin-1-ium?
The InChIKey is OYHQAXYDSYSGEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO/c1-2-9-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3/p+1.
What are the key properties of 4-ethoxypiperidin-1-ium?
4-ethoxypiperidin-1-ium has a molecular weight of 130.21 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxypiperidin-1-ium is sourced from PubChem (CID 42426701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).