4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid

C14H25NO2 — CID 43803830

IUPAC4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N2CCCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-2-12-6-8-14(9-7-12,13(16)17)15-10-4-3-5-11-15/h12H,2-11H2,1H3,(H,16,17)
InChIKeyZYVVJQSVMGEZAD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.90
Rot. Bonds3

About 4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid

4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid (PubChem CID 43803830) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid
PubChem CID43803830
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N2CCCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-2-12-6-8-14(9-7-12,13(16)17)15-10-4-3-5-11-15/h12H,2-11H2,1H3,(H,16,17)
InChIKeyZYVVJQSVMGEZAD-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid (CID 43803830) is 4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)(N2CCCCC2)CC1.
What is the InChIKey of 4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid?
The InChIKey is ZYVVJQSVMGEZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-12-6-8-14(9-7-12,13(16)17)15-10-4-3-5-11-15/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid?
4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-piperidin-1-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43803830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).