1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid

C12H17N3O3 — CID 91812142

IUPAC1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid
SMILESCCOc1cc(N2CCC(C(=O)O)CC2)cnn1
InChIInChI=1S/C12H17N3O3/c1-2-18-11-7-10(8-13-14-11)15-5-3-9(4-6-15)12(16)17/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyNEUFBBSSGHVUBJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.18
Rot. Bonds4

About 1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid

1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid (PubChem CID 91812142) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid
PubChem CID91812142
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid
SMILESCCOc1cc(N2CCC(C(=O)O)CC2)cnn1
InChIInChI=1S/C12H17N3O3/c1-2-18-11-7-10(8-13-14-11)15-5-3-9(4-6-15)12(16)17/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyNEUFBBSSGHVUBJ-UHFFFAOYSA-N
XLogP1.18
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid (CID 91812142) is 1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid is CCOc1cc(N2CCC(C(=O)O)CC2)cnn1.
What is the InChIKey of 1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is NEUFBBSSGHVUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-18-11-7-10(8-13-14-11)15-5-3-9(4-6-15)12(16)17/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid?
1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyridazin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 91812142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).