3-(4-methylpiperazin-1-yl)propanehydrazide

C8H18N4O — CID 2400453

IUPAC3-(4-methylpiperazin-1-yl)propanehydrazide
SMILESCN1CCN(CCC(=O)NN)CC1
InChIInChI=1S/C8H18N4O/c1-11-4-6-12(7-5-11)3-2-8(13)10-9/h2-7,9H2,1H3,(H,10,13)
InChIKeyXYBQNPLHPCQDMJ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.39
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)propanehydrazide

3-(4-methylpiperazin-1-yl)propanehydrazide (PubChem CID 2400453) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)propanehydrazide
PubChem CID2400453
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name3-(4-methylpiperazin-1-yl)propanehydrazide
SMILESCN1CCN(CCC(=O)NN)CC1
InChIInChI=1S/C8H18N4O/c1-11-4-6-12(7-5-11)3-2-8(13)10-9/h2-7,9H2,1H3,(H,10,13)
InChIKeyXYBQNPLHPCQDMJ-UHFFFAOYSA-N
XLogP-1.39
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.39
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 3-(4-methylpiperazin-1-yl)propanehydrazide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)propanehydrazide (CID 2400453) is 3-(4-methylpiperazin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)propanehydrazide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)propanehydrazide is CN1CCN(CCC(=O)NN)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)propanehydrazide?
The InChIKey is XYBQNPLHPCQDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-11-4-6-12(7-5-11)3-2-8(13)10-9/h2-7,9H2,1H3,(H,10,13).
What are the key properties of 3-(4-methylpiperazin-1-yl)propanehydrazide?
3-(4-methylpiperazin-1-yl)propanehydrazide has a molecular weight of 186.26 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 2400453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).