4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C13H19NO2 — CID 67291302

IUPAC4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1CC2(N3CCCCC3)C=CC1C2
InChIInChI=1S/C13H19NO2/c15-12(16)11-9-13(5-4-10(11)8-13)14-6-2-1-3-7-14/h4-5,10-11H,1-3,6-9H2,(H,15,16)
InChIKeyIWTNIZBKQBXYKB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.89
Rot. Bonds2

About 4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 67291302) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID67291302
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1CC2(N3CCCCC3)C=CC1C2
InChIInChI=1S/C13H19NO2/c15-12(16)11-9-13(5-4-10(11)8-13)14-6-2-1-3-7-14/h4-5,10-11H,1-3,6-9H2,(H,15,16)
InChIKeyIWTNIZBKQBXYKB-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 67291302) is 4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is O=C(O)C1CC2(N3CCCCC3)C=CC1C2.
What is the InChIKey of 4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is IWTNIZBKQBXYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-12(16)11-9-13(5-4-10(11)8-13)14-6-2-1-3-7-14/h4-5,10-11H,1-3,6-9H2,(H,15,16).
What are the key properties of 4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 221.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 67291302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).