3-cyclohexylpropanoic acid;piperazine

C13H26N2O2 — CID 54606194

IUPAC3-cyclohexylpropanoic acid;piperazine
SMILESC1CNCCN1.O=C(O)CCC1CCCCC1
InChIInChI=1S/C9H16O2.C4H10N2/c10-9(11)7-6-8-4-2-1-3-5-8;1-2-6-4-3-5-1/h8H,1-7H2,(H,10,11);5-6H,1-4H2
InChIKeyQHLRHQFNUJXOTE-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.61
Rot. Bonds3

About 3-cyclohexylpropanoic acid;piperazine

3-cyclohexylpropanoic acid;piperazine (PubChem CID 54606194) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-cyclohexylpropanoic acid;piperazine.

Molecular Properties

Compound Name3-cyclohexylpropanoic acid;piperazine
PubChem CID54606194
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-cyclohexylpropanoic acid;piperazine
SMILESC1CNCCN1.O=C(O)CCC1CCCCC1
InChIInChI=1S/C9H16O2.C4H10N2/c10-9(11)7-6-8-4-2-1-3-5-8;1-2-6-4-3-5-1/h8H,1-7H2,(H,10,11);5-6H,1-4H2
InChIKeyQHLRHQFNUJXOTE-UHFFFAOYSA-N
XLogP1.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpropanoic acid;piperazine?
The IUPAC name of 3-cyclohexylpropanoic acid;piperazine (CID 54606194) is 3-cyclohexylpropanoic acid;piperazine.
What is the SMILES notation for 3-cyclohexylpropanoic acid;piperazine?
The canonical SMILES for 3-cyclohexylpropanoic acid;piperazine is C1CNCCN1.O=C(O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexylpropanoic acid;piperazine?
The InChIKey is QHLRHQFNUJXOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C4H10N2/c10-9(11)7-6-8-4-2-1-3-5-8;1-2-6-4-3-5-1/h8H,1-7H2,(H,10,11);5-6H,1-4H2.
What are the key properties of 3-cyclohexylpropanoic acid;piperazine?
3-cyclohexylpropanoic acid;piperazine has a molecular weight of 242.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpropanoic acid;piperazine is sourced from PubChem (CID 54606194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).