3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide

C12H26N4O — CID 63572637

IUPAC3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
SMILESCC(C)CN1CCN(C(C)CC(=O)NN)CC1
InChIInChI=1S/C12H26N4O/c1-10(2)9-15-4-6-16(7-5-15)11(3)8-12(17)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyKCSAWJWOCWNBDJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.03
Rot. Bonds5

About 3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide

3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide (PubChem CID 63572637) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
PubChem CID63572637
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
SMILESCC(C)CN1CCN(C(C)CC(=O)NN)CC1
InChIInChI=1S/C12H26N4O/c1-10(2)9-15-4-6-16(7-5-15)11(3)8-12(17)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyKCSAWJWOCWNBDJ-UHFFFAOYSA-N
XLogP0.03
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 ≤ 50.03
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

3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide
CID 63573949
3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 62777980
3-thiomorpholin-4-ylbutanehydrazide
CID 63569224
4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
CID 63571513
3-(4-ethoxypiperidin-1-yl)butanehydrazide
CID 63573765
3-[4-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 63980494
4-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-ol
CID 64720384
3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 62777232
2-methyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]propan-1-amine
CID 62773305
4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide
CID 63573948
3-(3-ethoxypiperidin-1-yl)butanehydrazide
CID 63578982
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide?
The IUPAC name of 3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide (CID 63572637) is 3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide.
What is the SMILES notation for 3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide?
The canonical SMILES for 3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide is CC(C)CN1CCN(C(C)CC(=O)NN)CC1.
What is the InChIKey of 3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide?
The InChIKey is KCSAWJWOCWNBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10(2)9-15-4-6-16(7-5-15)11(3)8-12(17)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,17).
What are the key properties of 3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide?
3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide has a molecular weight of 242.37 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide is sourced from PubChem (CID 63572637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).