piperazine;1-piperazin-1-ylethanone

C10H22N4O — CID 21419671

IUPACpiperazine;1-piperazin-1-ylethanone
SMILESC1CNCCN1.CC(=O)N1CCNCC1
InChIInChI=1S/C6H12N2O.C4H10N2/c1-6(9)8-4-2-7-3-5-8;1-2-6-4-3-5-1/h7H,2-5H2,1H3;5-6H,1-4H2
InChIKeyJYZXQTSZJAUBRJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP-1.38
Rot. Bonds

About piperazine;1-piperazin-1-ylethanone

piperazine;1-piperazin-1-ylethanone (PubChem CID 21419671) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is piperazine;1-piperazin-1-ylethanone.

Molecular Properties

Compound Namepiperazine;1-piperazin-1-ylethanone
PubChem CID21419671
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Namepiperazine;1-piperazin-1-ylethanone
SMILESC1CNCCN1.CC(=O)N1CCNCC1
InChIInChI=1S/C6H12N2O.C4H10N2/c1-6(9)8-4-2-7-3-5-8;1-2-6-4-3-5-1/h7H,2-5H2,1H3;5-6H,1-4H2
InChIKeyJYZXQTSZJAUBRJ-UHFFFAOYSA-N
XLogP-1.38
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazine;1-piperazin-1-ylethanone?
The IUPAC name of piperazine;1-piperazin-1-ylethanone (CID 21419671) is piperazine;1-piperazin-1-ylethanone.
What is the SMILES notation for piperazine;1-piperazin-1-ylethanone?
The canonical SMILES for piperazine;1-piperazin-1-ylethanone is C1CNCCN1.CC(=O)N1CCNCC1.
What is the InChIKey of piperazine;1-piperazin-1-ylethanone?
The InChIKey is JYZXQTSZJAUBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C4H10N2/c1-6(9)8-4-2-7-3-5-8;1-2-6-4-3-5-1/h7H,2-5H2,1H3;5-6H,1-4H2.
What are the key properties of piperazine;1-piperazin-1-ylethanone?
piperazine;1-piperazin-1-ylethanone has a molecular weight of 214.31 g/mol, XLogP of -1.38, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;1-piperazin-1-ylethanone is sourced from PubChem (CID 21419671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).