acetic acid;piperazine

C6H14N2O2 — CID 6713366

IUPACacetic acid;piperazine
SMILESC1CNCCN1.CC(=O)O
InChIInChI=1S/C4H10N2.C2H4O2/c1-2-6-4-3-5-1;1-2(3)4/h5-6H,1-4H2;1H3,(H,3,4)
InChIKeyOSHVGUAPPIYWIS-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.73
Rot. Bonds

About acetic acid;piperazine

acetic acid;piperazine (PubChem CID 6713366) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is acetic acid;piperazine.

Molecular Properties

Compound Nameacetic acid;piperazine
PubChem CID6713366
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameacetic acid;piperazine
SMILESC1CNCCN1.CC(=O)O
InChIInChI=1S/C4H10N2.C2H4O2/c1-2-6-4-3-5-1;1-2(3)4/h5-6H,1-4H2;1H3,(H,3,4)
InChIKeyOSHVGUAPPIYWIS-UHFFFAOYSA-N
XLogP-0.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;piperazine?
The IUPAC name of acetic acid;piperazine (CID 6713366) is acetic acid;piperazine.
What is the SMILES notation for acetic acid;piperazine?
The canonical SMILES for acetic acid;piperazine is C1CNCCN1.CC(=O)O.
What is the InChIKey of acetic acid;piperazine?
The InChIKey is OSHVGUAPPIYWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H4O2/c1-2-6-4-3-5-1;1-2(3)4/h5-6H,1-4H2;1H3,(H,3,4).
What are the key properties of acetic acid;piperazine?
acetic acid;piperazine has a molecular weight of 146.19 g/mol, XLogP of -0.73, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;piperazine is sourced from PubChem (CID 6713366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).