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

C15H23NO2 — CID 18463276

IUPAC1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1CC2C=CC1(CCN1CCCCC1)C2
InChIInChI=1S/C15H23NO2/c17-14(18)13-10-12-4-5-15(13,11-12)6-9-16-7-2-1-3-8-16/h4-5,12-13H,1-3,6-11H2,(H,17,18)
InChIKeyJJBGFKZRKQOZFN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.53
Rot. Bonds4

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

1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 18463276) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID18463276
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)C1CC2C=CC1(CCN1CCCCC1)C2
InChIInChI=1S/C15H23NO2/c17-14(18)13-10-12-4-5-15(13,11-12)6-9-16-7-2-1-3-8-16/h4-5,12-13H,1-3,6-11H2,(H,17,18)
InChIKeyJJBGFKZRKQOZFN-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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Related Compounds

2,3-Bis(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 18463292
4-Cyclohex-2-en-1-yl-1-methylpiperidine-4-carboxylic acid
CID 23388586
4-Cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid
CID 54522340
3-Piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 67291155
4-Piperidin-1-ylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 67291302
2-(2-Piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 70179333
1-(2,6-Diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid
CID 70530928
2-(2-Methoxycarbonyl-2-bicyclo[2.2.1]hept-5-enyl)-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid
CID 70549940
5-(1-Azabicyclo[2.2.1]heptan-3-yl)-1,2,3,3a,4,7a-hexahydroindene-2,5-dicarboxylic acid
CID 90754768
5-(1-Azabicyclo[2.2.1]heptan-3-yl)-1,2,3,3a,4,7a-hexahydroindene-1,5-dicarboxylic acid
CID 91190132
6-(1-Azabicyclo[2.2.1]heptan-3-yl)-1,2,3,3a,7,7a-hexahydroindene-1,6-dicarboxylic acid
CID 91566474
4-Ethyl-3-piperidin-1-yloxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 151238234

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 18463276) is 1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is O=C(O)C1CC2C=CC1(CCN1CCCCC1)C2.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is JJBGFKZRKQOZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-14(18)13-10-12-4-5-15(13,11-12)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 1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
1-(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 1-(2-piperidin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 18463276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).