cyclohexanecarboxylic acid;piperazine

C11H22N2O2 — CID 54600095

IUPACcyclohexanecarboxylic acid;piperazine
SMILESC1CNCCN1.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.C4H10N2/c8-7(9)6-4-2-1-3-5-6;1-2-6-4-3-5-1/h6H,1-5H2,(H,8,9);5-6H,1-4H2
InChIKeyGLUOPRXDCARVNT-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.83
Rot. Bonds1

About cyclohexanecarboxylic acid;piperazine

cyclohexanecarboxylic acid;piperazine (PubChem CID 54600095) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;piperazine.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;piperazine
PubChem CID54600095
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namecyclohexanecarboxylic acid;piperazine
SMILESC1CNCCN1.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.C4H10N2/c8-7(9)6-4-2-1-3-5-6;1-2-6-4-3-5-1/h6H,1-5H2,(H,8,9);5-6H,1-4H2
InChIKeyGLUOPRXDCARVNT-UHFFFAOYSA-N
XLogP0.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;piperazine?
The IUPAC name of cyclohexanecarboxylic acid;piperazine (CID 54600095) is cyclohexanecarboxylic acid;piperazine.
What is the SMILES notation for cyclohexanecarboxylic acid;piperazine?
The canonical SMILES for cyclohexanecarboxylic acid;piperazine is C1CNCCN1.O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid;piperazine?
The InChIKey is GLUOPRXDCARVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C4H10N2/c8-7(9)6-4-2-1-3-5-6;1-2-6-4-3-5-1/h6H,1-5H2,(H,8,9);5-6H,1-4H2.
What are the key properties of cyclohexanecarboxylic acid;piperazine?
cyclohexanecarboxylic acid;piperazine has a molecular weight of 214.31 g/mol, XLogP of 0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;piperazine is sourced from PubChem (CID 54600095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).