1,4-dimethylpiperazine-2-carbohydrazide

C7H16N4O — CID 2779178

IUPAC1,4-dimethylpiperazine-2-carbohydrazide
SMILESCN1CCN(C)C(C(=O)NN)C1
InChIInChI=1S/C7H16N4O/c1-10-3-4-11(2)6(5-10)7(12)9-8/h6H,3-5,8H2,1-2H3,(H,9,12)
InChIKeyJJMSAGIZUUNTQG-UHFFFAOYSA-N
MW172.23 g/mol
LogP-1.78
Rot. Bonds1

About 1,4-dimethylpiperazine-2-carbohydrazide

1,4-dimethylpiperazine-2-carbohydrazide (PubChem CID 2779178) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,4-dimethylpiperazine-2-carbohydrazide.

Molecular Properties

Compound Name1,4-dimethylpiperazine-2-carbohydrazide
PubChem CID2779178
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name1,4-dimethylpiperazine-2-carbohydrazide
SMILESCN1CCN(C)C(C(=O)NN)C1
InChIInChI=1S/C7H16N4O/c1-10-3-4-11(2)6(5-10)7(12)9-8/h6H,3-5,8H2,1-2H3,(H,9,12)
InChIKeyJJMSAGIZUUNTQG-UHFFFAOYSA-N
XLogP-1.78
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine-2-carbohydrazide?
The IUPAC name of 1,4-dimethylpiperazine-2-carbohydrazide (CID 2779178) is 1,4-dimethylpiperazine-2-carbohydrazide.
What is the SMILES notation for 1,4-dimethylpiperazine-2-carbohydrazide?
The canonical SMILES for 1,4-dimethylpiperazine-2-carbohydrazide is CN1CCN(C)C(C(=O)NN)C1.
What is the InChIKey of 1,4-dimethylpiperazine-2-carbohydrazide?
The InChIKey is JJMSAGIZUUNTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-10-3-4-11(2)6(5-10)7(12)9-8/h6H,3-5,8H2,1-2H3,(H,9,12).
What are the key properties of 1,4-dimethylpiperazine-2-carbohydrazide?
1,4-dimethylpiperazine-2-carbohydrazide has a molecular weight of 172.23 g/mol, XLogP of -1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine-2-carbohydrazide is sourced from PubChem (CID 2779178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).