3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide

C12H26N4O — CID 63573949

IUPAC3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide
SMILESCCC(C)N1CCN(C(C)CC(=O)NN)CC1
InChIInChI=1S/C12H26N4O/c1-4-10(2)15-5-7-16(8-6-15)11(3)9-12(17)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyPFXKOVVSKQRYON-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.17
Rot. Bonds5

About 3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide

3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide (PubChem CID 63573949) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide
PubChem CID63573949
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide
SMILESCCC(C)N1CCN(C(C)CC(=O)NN)CC1
InChIInChI=1S/C12H26N4O/c1-4-10(2)15-5-7-16(8-6-15)11(3)9-12(17)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyPFXKOVVSKQRYON-UHFFFAOYSA-N
XLogP0.17
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.17
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

4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide
CID 63573948
3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
CID 63572637
3-thiomorpholin-4-ylbutanehydrazide
CID 63569224
3-(4-ethoxypiperidin-1-yl)butanehydrazide
CID 63573765
3-[4-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 63980494
4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide
CID 66431392
3-(3-ethoxypiperidin-1-yl)butanehydrazide
CID 63578982
methyl 3-(4-butan-2-ylpiperazin-1-yl)-2-(propylamino)propanoate
CID 62773852
2-amino-4-(4-butan-2-ylpiperazin-1-yl)-2-methylpentanoic acid
CID 64703146
4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170
3-(2,2-dimethylpyrrolidin-1-yl)butanehydrazide
CID 63585215
3-(2-ethylpiperidin-1-yl)butanehydrazide
CID 63573262

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide (CID 63573949) is 3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide is CCC(C)N1CCN(C(C)CC(=O)NN)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide?
The InChIKey is PFXKOVVSKQRYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-4-10(2)15-5-7-16(8-6-15)11(3)9-12(17)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,17).
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide?
3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide has a molecular weight of 242.37 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide is sourced from PubChem (CID 63573949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).