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

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63067084
4-ethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexane-1-carboxylic acid
CID 79935356
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 103540460
2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63068626
2-(4-butan-2-ylpiperazin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63074579
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexane-1-carboxylic acid
CID 79935193
[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine
CID 63603329
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 64579091
2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069621
2-(2,3-dimethylpiperidin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 55146133
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069609
2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80996398

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).