3-piperazin-1-ylbutanehydrazide

C8H18N4O — CID 63583786

IUPAC3-piperazin-1-ylbutanehydrazide
SMILESCC(CC(=O)NN)N1CCNCC1
InChIInChI=1S/C8H18N4O/c1-7(6-8(13)11-9)12-4-2-10-3-5-12/h7,10H,2-6,9H2,1H3,(H,11,13)
InChIKeyPYDYOINYZFJPIH-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.34
Rot. Bonds3

About 3-piperazin-1-ylbutanehydrazide

3-piperazin-1-ylbutanehydrazide (PubChem CID 63583786) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-piperazin-1-ylbutanehydrazide.

Molecular Properties

Compound Name3-piperazin-1-ylbutanehydrazide
PubChem CID63583786
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name3-piperazin-1-ylbutanehydrazide
SMILESCC(CC(=O)NN)N1CCNCC1
InChIInChI=1S/C8H18N4O/c1-7(6-8(13)11-9)12-4-2-10-3-5-12/h7,10H,2-6,9H2,1H3,(H,11,13)
InChIKeyPYDYOINYZFJPIH-UHFFFAOYSA-N
XLogP-1.34
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
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 3-piperazin-1-ylbutanehydrazide?
The IUPAC name of 3-piperazin-1-ylbutanehydrazide (CID 63583786) is 3-piperazin-1-ylbutanehydrazide.
What is the SMILES notation for 3-piperazin-1-ylbutanehydrazide?
The canonical SMILES for 3-piperazin-1-ylbutanehydrazide is CC(CC(=O)NN)N1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylbutanehydrazide?
The InChIKey is PYDYOINYZFJPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-7(6-8(13)11-9)12-4-2-10-3-5-12/h7,10H,2-6,9H2,1H3,(H,11,13).
What are the key properties of 3-piperazin-1-ylbutanehydrazide?
3-piperazin-1-ylbutanehydrazide has a molecular weight of 186.26 g/mol, XLogP of -1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylbutanehydrazide is sourced from PubChem (CID 63583786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).