4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid

C10H13ClN2O2 — CID 114606418

IUPAC4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn1N1CCCCC1
InChIInChI=1S/C10H13ClN2O2/c11-8-6-9(10(14)15)13(7-8)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,14,15)
InChIKeyADKNOQYRQVSBLA-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.96
Rot. Bonds2

About 4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid

4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid (PubChem CID 114606418) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid
PubChem CID114606418
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn1N1CCCCC1
InChIInChI=1S/C10H13ClN2O2/c11-8-6-9(10(14)15)13(7-8)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,14,15)
InChIKeyADKNOQYRQVSBLA-UHFFFAOYSA-N
XLogP1.96
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid?
The IUPAC name of 4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid (CID 114606418) is 4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid is O=C(O)c1cc(Cl)cn1N1CCCCC1.
What is the InChIKey of 4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid?
The InChIKey is ADKNOQYRQVSBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-8-6-9(10(14)15)13(7-8)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,14,15).
What are the key properties of 4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid?
4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid has a molecular weight of 228.68 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 114606418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).