piperazine;1H-pyrrole

C12H25N5 — CID 160573516

IUPACpiperazine;1H-pyrrole
SMILESC1CNCCN1.C1CNCCN1.c1cc[nH]c1
InChIInChI=1S/2C4H10N2.C4H5N/c2*1-2-6-4-3-5-1;1-2-4-5-3-1/h2*5-6H,1-4H2;1-5H
InChIKeyRAVOUZNZLSBQTN-UHFFFAOYSA-N
MW239.37 g/mol
LogP-0.63
Rot. Bonds

About piperazine;1H-pyrrole

piperazine;1H-pyrrole (PubChem CID 160573516) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is piperazine;1H-pyrrole.

Molecular Properties

Compound Namepiperazine;1H-pyrrole
PubChem CID160573516
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Namepiperazine;1H-pyrrole
SMILESC1CNCCN1.C1CNCCN1.c1cc[nH]c1
InChIInChI=1S/2C4H10N2.C4H5N/c2*1-2-6-4-3-5-1;1-2-4-5-3-1/h2*5-6H,1-4H2;1-5H
InChIKeyRAVOUZNZLSBQTN-UHFFFAOYSA-N
XLogP-0.63
TPSA63.91 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazine;1H-pyrrole?
The IUPAC name of piperazine;1H-pyrrole (CID 160573516) is piperazine;1H-pyrrole.
What is the SMILES notation for piperazine;1H-pyrrole?
The canonical SMILES for piperazine;1H-pyrrole is C1CNCCN1.C1CNCCN1.c1cc[nH]c1.
What is the InChIKey of piperazine;1H-pyrrole?
The InChIKey is RAVOUZNZLSBQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10N2.C4H5N/c2*1-2-6-4-3-5-1;1-2-4-5-3-1/h2*5-6H,1-4H2;1-5H.
What are the key properties of piperazine;1H-pyrrole?
piperazine;1H-pyrrole has a molecular weight of 239.37 g/mol, XLogP of -0.63, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;1H-pyrrole is sourced from PubChem (CID 160573516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).