bis(1-methylpiperazine);urea

C11H28N6O — CID 158844048

IUPACbis(1-methylpiperazine);urea
SMILESCN1CCNCC1.CN1CCNCC1.NC(N)=O
InChIInChI=1S/2C5H12N2.CH4N2O/c2*1-7-4-2-6-3-5-7;2-1(3)4/h2*6H,2-5H2,1H3;(H4,2,3,4)
InChIKeyIYPHCNPSJJJTLA-UHFFFAOYSA-N
MW260.39 g/mol
LogP-1.93
Rot. Bonds

About bis(1-methylpiperazine);urea

bis(1-methylpiperazine);urea (PubChem CID 158844048) has the molecular formula C11H28N6O and a molecular weight of 260.39 g/mol. Its IUPAC name is bis(1-methylpiperazine);urea.

Molecular Properties

Compound Namebis(1-methylpiperazine);urea
PubChem CID158844048
Molecular FormulaC11H28N6O
Molecular Weight260.39 g/mol
Exact Mass260.23
IUPAC Namebis(1-methylpiperazine);urea
SMILESCN1CCNCC1.CN1CCNCC1.NC(N)=O
InChIInChI=1S/2C5H12N2.CH4N2O/c2*1-7-4-2-6-3-5-7;2-1(3)4/h2*6H,2-5H2,1H3;(H4,2,3,4)
InChIKeyIYPHCNPSJJJTLA-UHFFFAOYSA-N
XLogP-1.93
TPSA99.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(1-methylpiperazine);urea?
The IUPAC name of bis(1-methylpiperazine);urea (CID 158844048) is bis(1-methylpiperazine);urea.
What is the SMILES notation for bis(1-methylpiperazine);urea?
The canonical SMILES for bis(1-methylpiperazine);urea is CN1CCNCC1.CN1CCNCC1.NC(N)=O.
What is the InChIKey of bis(1-methylpiperazine);urea?
The InChIKey is IYPHCNPSJJJTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12N2.CH4N2O/c2*1-7-4-2-6-3-5-7;2-1(3)4/h2*6H,2-5H2,1H3;(H4,2,3,4).
What are the key properties of bis(1-methylpiperazine);urea?
bis(1-methylpiperazine);urea has a molecular weight of 260.39 g/mol, XLogP of -1.93, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylpiperazine);urea is sourced from PubChem (CID 158844048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).