4-(2-cyclohexylethyl)piperazine-1-carboxylic acid

C13H24N2O2 — CID 22047814

IUPAC4-(2-cyclohexylethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c16-13(17)15-10-8-14(9-11-15)7-6-12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17)
InChIKeyAXUUUVQUPWGRBZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.25
Rot. Bonds3

About 4-(2-cyclohexylethyl)piperazine-1-carboxylic acid

4-(2-cyclohexylethyl)piperazine-1-carboxylic acid (PubChem CID 22047814) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(2-cyclohexylethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclohexylethyl)piperazine-1-carboxylic acid
PubChem CID22047814
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-(2-cyclohexylethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c16-13(17)15-10-8-14(9-11-15)7-6-12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17)
InChIKeyAXUUUVQUPWGRBZ-UHFFFAOYSA-N
XLogP2.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-cyclohexylethyl)piperazine-1-carboxylic acid (CID 22047814) is 4-(2-cyclohexylethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-cyclohexylethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-cyclohexylethyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(CCC2CCCCC2)CC1.
What is the InChIKey of 4-(2-cyclohexylethyl)piperazine-1-carboxylic acid?
The InChIKey is AXUUUVQUPWGRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13(17)15-10-8-14(9-11-15)7-6-12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17).
What are the key properties of 4-(2-cyclohexylethyl)piperazine-1-carboxylic acid?
4-(2-cyclohexylethyl)piperazine-1-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22047814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).