3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid

C14H23NO2 — CID 5231815

IUPAC3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C=CC2CCNCC2)C1
InChIInChI=1S/C14H23NO2/c16-14(17)13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h4-5,11-13,15H,1-3,6-10H2,(H,16,17)
InChIKeyXLPCOQOUUIKKNW-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.43
Rot. Bonds3

About 3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid

3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid (PubChem CID 5231815) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid
PubChem CID5231815
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C=CC2CCNCC2)C1
InChIInChI=1S/C14H23NO2/c16-14(17)13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h4-5,11-13,15H,1-3,6-10H2,(H,16,17)
InChIKeyXLPCOQOUUIKKNW-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
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 3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid (CID 5231815) is 3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C=CC2CCNCC2)C1.
What is the InChIKey of 3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid?
The InChIKey is XLPCOQOUUIKKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-14(17)13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h4-5,11-13,15H,1-3,6-10H2,(H,16,17).
What are the key properties of 3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid?
3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-4-ylethenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 5231815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).