4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid

C12H19NO2 — CID 57132739

IUPAC4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=C(N2CCCCC2)CC1
InChIInChI=1S/C12H19NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h6,10H,1-5,7-9H2,(H,14,15)
InChIKeyCOANAYJBRCDRDE-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.24
Rot. Bonds2

About 4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid

4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid (PubChem CID 57132739) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid
PubChem CID57132739
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=C(N2CCCCC2)CC1
InChIInChI=1S/C12H19NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h6,10H,1-5,7-9H2,(H,14,15)
InChIKeyCOANAYJBRCDRDE-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid (CID 57132739) is 4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=C(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is COANAYJBRCDRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h6,10H,1-5,7-9H2,(H,14,15).
What are the key properties of 4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 57132739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).