4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide

C12H26N4O — CID 63571513

IUPAC4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
SMILESCC(C)CN1CCN(CCCC(=O)NN)CC1
InChIInChI=1S/C12H26N4O/c1-11(2)10-16-8-6-15(7-9-16)5-3-4-12(17)14-13/h11H,3-10,13H2,1-2H3,(H,14,17)
InChIKeyRSNPQEXHVGDWRJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.03
Rot. Bonds6

About 4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide

4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide (PubChem CID 63571513) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
PubChem CID63571513
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
SMILESCC(C)CN1CCN(CCCC(=O)NN)CC1
InChIInChI=1S/C12H26N4O/c1-11(2)10-16-8-6-15(7-9-16)5-3-4-12(17)14-13/h11H,3-10,13H2,1-2H3,(H,14,17)
InChIKeyRSNPQEXHVGDWRJ-UHFFFAOYSA-N
XLogP0.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.03
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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Related Compounds

6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
CID 106801418
5-(4-propylpiperazin-1-yl)pentanehydrazide
CID 63568646
3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
CID 63572637
N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 76949002
4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
CID 62777800
4-(4,4-diethylpiperidin-1-yl)butanehydrazide
CID 63583162
5-morpholin-4-ylpentanehydrazide
CID 63570305
1-(4-hydrazinyl-4-oxobutyl)-N-methylpiperidine-4-carboxamide
CID 63584988
4-(4-methylazepan-1-yl)butanehydrazide
CID 63627733
5-(4-hydroxypiperidin-1-yl)pentanehydrazide
CID 63571141
5-[4-(dimethylamino)piperidin-1-yl]pentanehydrazide
CID 55213443
5-(4-ethylpiperidin-1-yl)pentanehydrazide
CID 63578403

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide?
The IUPAC name of 4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide (CID 63571513) is 4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide.
What is the SMILES notation for 4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide?
The canonical SMILES for 4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide is CC(C)CN1CCN(CCCC(=O)NN)CC1.
What is the InChIKey of 4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide?
The InChIKey is RSNPQEXHVGDWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-11(2)10-16-8-6-15(7-9-16)5-3-4-12(17)14-13/h11H,3-10,13H2,1-2H3,(H,14,17).
What are the key properties of 4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide?
4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide has a molecular weight of 242.37 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide is sourced from PubChem (CID 63571513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).