piperazine;dihydrate

C4H14N2O2 — CID 23374029

IUPACpiperazine;dihydrate
SMILESC1CNCCN1.O.O
InChIInChI=1S/C4H10N2.2H2O/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H2
InChIKeySIEBMARYUSRWDM-UHFFFAOYSA-N
MW122.17 g/mol
LogP-2.47
Rot. Bonds

About piperazine;dihydrate

piperazine;dihydrate (PubChem CID 23374029) has the molecular formula C4H14N2O2 and a molecular weight of 122.17 g/mol. Its IUPAC name is piperazine;dihydrate.

Molecular Properties

Compound Namepiperazine;dihydrate
PubChem CID23374029
Molecular FormulaC4H14N2O2
Molecular Weight122.17 g/mol
Exact Mass122.11
IUPAC Namepiperazine;dihydrate
SMILESC1CNCCN1.O.O
InChIInChI=1S/C4H10N2.2H2O/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H2
InChIKeySIEBMARYUSRWDM-UHFFFAOYSA-N
XLogP-2.47
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 5-2.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperazine;dihydrate?
The IUPAC name of piperazine;dihydrate (CID 23374029) is piperazine;dihydrate.
What is the SMILES notation for piperazine;dihydrate?
The canonical SMILES for piperazine;dihydrate is C1CNCCN1.O.O.
What is the InChIKey of piperazine;dihydrate?
The InChIKey is SIEBMARYUSRWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.2H2O/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H2.
What are the key properties of piperazine;dihydrate?
piperazine;dihydrate has a molecular weight of 122.17 g/mol, XLogP of -2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;dihydrate is sourced from PubChem (CID 23374029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).