4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid

C16H30N2O2 — CID 63620374

IUPAC4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(N2CCN(CC)C(C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-4-13-6-7-14(16(19)20)15(10-13)18-9-8-17(5-2)12(3)11-18/h12-15H,4-11H2,1-3H3,(H,19,20)
InChIKeyAZQNGNHNYQNNCA-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.29
Rot. Bonds4

About 4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid

4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 63620374) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID63620374
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(N2CCN(CC)C(C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-4-13-6-7-14(16(19)20)15(10-13)18-9-8-17(5-2)12(3)11-18/h12-15H,4-11H2,1-3H3,(H,19,20)
InChIKeyAZQNGNHNYQNNCA-UHFFFAOYSA-N
XLogP2.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-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-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid (CID 63620374) is 4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)C(N2CCN(CC)C(C)C2)C1.
What is the InChIKey of 4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is AZQNGNHNYQNNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-13-6-7-14(16(19)20)15(10-13)18-9-8-17(5-2)12(3)11-18/h12-15H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid?
4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63620374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).