1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid

C12H20N4O3 — CID 61220921

IUPAC1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid
SMILESCCOC1CCN(CCn2cc(C(=O)O)nn2)CC1
InChIInChI=1S/C12H20N4O3/c1-2-19-10-3-5-15(6-4-10)7-8-16-9-11(12(17)18)13-14-16/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeySXBVGUUPRISFCE-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.48
Rot. Bonds6

About 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid

1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid (PubChem CID 61220921) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid
PubChem CID61220921
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid
SMILESCCOC1CCN(CCn2cc(C(=O)O)nn2)CC1
InChIInChI=1S/C12H20N4O3/c1-2-19-10-3-5-15(6-4-10)7-8-16-9-11(12(17)18)13-14-16/h9-10H,2-8H2,1H3,(H,17,18)
InChIKeySXBVGUUPRISFCE-UHFFFAOYSA-N
XLogP0.48
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid (CID 61220921) is 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid is CCOC1CCN(CCn2cc(C(=O)O)nn2)CC1.
What is the InChIKey of 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid?
The InChIKey is SXBVGUUPRISFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-19-10-3-5-15(6-4-10)7-8-16-9-11(12(17)18)13-14-16/h9-10H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid?
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 61220921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).