2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C15H23NO2 — CID 70179333

IUPAC2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1(CCN2CCCCC2)CC2C=CC1C2
InChIInChI=1S/C15H23NO2/c17-14(18)15(11-12-4-5-13(15)10-12)6-9-16-7-2-1-3-8-16/h4-5,12-13H,1-3,6-11H2,(H,17,18)
InChIKeyYBFSFFVPSJLBMB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.53
Rot. Bonds4

About 2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 70179333) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID70179333
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1(CCN2CCCCC2)CC2C=CC1C2
InChIInChI=1S/C15H23NO2/c17-14(18)15(11-12-4-5-13(15)10-12)6-9-16-7-2-1-3-8-16/h4-5,12-13H,1-3,6-11H2,(H,17,18)
InChIKeyYBFSFFVPSJLBMB-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.53
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 2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 70179333) is 2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is O=C(O)C1(CCN2CCCCC2)CC2C=CC1C2.
What is the InChIKey of 2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is YBFSFFVPSJLBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-14(18)15(11-12-4-5-13(15)10-12)6-9-16-7-2-1-3-8-16/h4-5,12-13H,1-3,6-11H2,(H,17,18).
What are the key properties of 2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 249.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 70179333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).