1-methanidylpiperazine

C5H11N2- — CID 20723184

IUPAC1-methanidylpiperazine
SMILES[CH2-]N1CCNCC1
InChIInChI=1S/C5H11N2/c1-7-4-2-6-3-5-7/h6H,1-5H2/q-1
InChIKeyBKPPTCBGBPHTEJ-UHFFFAOYSA-N
MW99.16 g/mol
LogP-0.32
Rot. Bonds

About 1-methanidylpiperazine

1-methanidylpiperazine (PubChem CID 20723184) has the molecular formula C5H11N2- and a molecular weight of 99.16 g/mol. Its IUPAC name is 1-methanidylpiperazine.

Molecular Properties

Compound Name1-methanidylpiperazine
PubChem CID20723184
Molecular FormulaC5H11N2-
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC Name1-methanidylpiperazine
SMILES[CH2-]N1CCNCC1
InChIInChI=1S/C5H11N2/c1-7-4-2-6-3-5-7/h6H,1-5H2/q-1
InChIKeyBKPPTCBGBPHTEJ-UHFFFAOYSA-N
XLogP-0.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
alumane;1-methylpiperazine
CID 173336720
ethane;1-methylpiperazine
CID 91350928
1-methylpiperazine;dihydrochloride
CID 2734715
1-methylpiperazine;hydrate
CID 23128681
1,4,7,10-tetrazabicyclo[5.5.3]pentadecane
CID 15800439
cyclopropane;1-methylpiperazine
CID 166166790
1-piperazin-1-yloxypiperazine;dihydrochloride
CID 174358981
potassium;hydride;1-methylpiperazine
CID 174652278
ethane;methane;1-methylpiperazine
CID 142051303
1-piperazin-1-ylethane-1,1,2,2-tetramine
CID 175066978

Frequently Asked Questions

What is the IUPAC name of 1-methanidylpiperazine?
The IUPAC name of 1-methanidylpiperazine (CID 20723184) is 1-methanidylpiperazine.
What is the SMILES notation for 1-methanidylpiperazine?
The canonical SMILES for 1-methanidylpiperazine is [CH2-]N1CCNCC1.
What is the InChIKey of 1-methanidylpiperazine?
The InChIKey is BKPPTCBGBPHTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2/c1-7-4-2-6-3-5-7/h6H,1-5H2/q-1.
What are the key properties of 1-methanidylpiperazine?
1-methanidylpiperazine has a molecular weight of 99.16 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidylpiperazine is sourced from PubChem (CID 20723184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).